ピーク情報

（ふき類）ふきのとう花序生

pos

Peak #17442 MN MID: SE114_S062581_M90

m/z: 333.15219, RT: 96.46, 強度: 171603, ログ強度: 1.75, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (6 names) S-Petasitin;Petasone A;(+)-Petasone A;S-Petasitolide A;Propargite;Eremopetasin sulfoxide

DBごとのヒット数: ALL 5 KG 1 KN 3 HM 1

FlavonoidSearch最大スコア MS2: 0.083, MS3: -

組成式	分子量	誤差(Δppm）	候補化合物名（代表で最短名を記載）	化合物ID
C19H26O4S	350.15518	0.841	S-Petasitin	KNApSAcK: C00050236
C19H26O4S	350.15518	0.841	Petasone A	KNApSAcK: C00050186, C00050187
C19H26O4S	350.15518	0.841	S-Petasitolide A	KNApSAcK: C00017402, C00017403
C19H26O4S	350.15518	0.841	Eremopetasin sulfoxide	HMDB: HMDB0032003
C19H26O4S	350.15518	0.841	Propargite	HMDB: HMDB0256819 KEGG: C18602

MSnスペクトル情報

Level: 2, プリカーサーm/z: 333.15167

Splash: splash10-0uyi-0690000000-2067a2c3503d46f958dc

m/z	Int.	NL	Rel.Int.
100.81	6583	232	1000
215.07	4805	118	729
232.04	1669	101	253
233.08	1014	100	153
231.05	1006	102	152
259.12	483	74	73

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 7,3'-dimethyl ether
0.083	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 7,4'-dimethyl ether
0.083	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone
0.063	[Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavanone	Dihydrotricetin 7,3'-dimethyl ether
0.063	[Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavanone	5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone
0.063	[Flavanone]-A(1OH, 2OMe)-B(2OH)	Flavanone	Dioclein
0.063	[Flavanone]-A(1OH, 2OMe)-B(2OH)	Flavanone	5,2',5'-Trihydroxy-7,8-dimethoxyflavanone
0.063	[Flavanone]-A(2OH)-B(1OH, 2OMe)	Flavanone	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone
0.063	[Flavanone]-A(2OH)-B(1OH, 2OMe)	Flavanone	5,7,4'-Trihydroxy-3',5'-dimethoxyflavanone
0.053	[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Myricetin 5-methyl ether
0.053	[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Europetin
0.053	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Allopatuletin
0.053	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Patuletin
0.053	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Quercetagetin 7-methyl ether
0.053	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Ranupetin
0.053	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Corniculatusin
0.053	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3'-methyl ether
0.053	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 4'-methyl ether
0.053	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Haplogenin
0.053	[Flavonol]-A(2OH)-B(2OH, 1OMe)	Flavonol	Laricitrin
0.053	[Flavonol]-A(2OH)-B(2OH, 1OMe)	Flavonol	Mearnsetin
0.000	[Flavone]-A(2OH, 1OMe)-B(3OH)	Flavone	3',4',5'-Trihydroxywogonin
0.000	[Flavone]-A(3OH, 1OMe)-B(2OH)	Flavone	5,7,8,3',4'-Pentahydroxy-6-methoxyflavone
0.000	[Flavone]-A(3OH, 1OMe)-B(2OH)	Flavone	5,6,7,3',4'-Pentahydroxy-8-methoxyflavone
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe)	Dihydroflavonol	3,5,7-Trihydroxy-6,4'-dimethoxyflavanone
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe)	Dihydroflavonol	3,5,7-Trihydroxy-8,4'-dimethoxyflavanone
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone
0.000	[Dihydroflavonol]-A(1OH, 2OMe)-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-6,7-dimethoxyflavanone
0.000	[Dihydroflavonol]-A(1OH, 2OMe)-B(1OH)	Dihydroflavonol	3,5,2'-Trihydroxy-7,8-dimethoxyflavanone
0.000	[Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Duartin
0.000	[Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Isoduartin
0.000	[Isoflavan]-A(1OH)-B(1OH, 3OMe)	Isoflavan	Lonchocarpan
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe)	Dihydrochalcone	2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe)	Dihydrochalcone	2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 3OMe)-B(none)	Dihydrochalcone	Dihydropedicin
0.000	[Dihydrochalcone]-A(2OH, 3OMe)-B(none)	Dihydrochalcone	3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone
0.000	[Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 5,7,3'-trimethyl ether
0.000	[Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 5,7,4'-trimethyl ether
0.000	[Isoflavanone]-A(2OH)-B(1OH, 2OMe)	Isoflavanone	Parvisoflavanone
0.000	[CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone]-A(2OH)-B(2OH)	CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone	Crombenin
0.000	[Flavonol (3-OMe)]-A(2OH)-B(3OH)	Flavonol	Annulatin
0.000	[Flavonol]-A(2OH, 1Methyl)-B(3OH)	Flavonol	Pinomyricetin
0.000	[Flavonol]-A(2OH)-B(3OH, 1Methyl)	Flavonol	2'-C-Methylmyricetin
0.000	[Flavonol (3-OMe)]-A(3OH)-B(2OH)	Flavonol	Quercetagetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(3OH)-B(2OH)	Flavonol	Gossypetin 3-methyl ether
0.000	[4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(none)	4-substituted Flavan 3-ol	3'-Deoxydryopteric acid
0.000	[Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OMe)	Flavan 4-ol	4,5,7-Trihydroxy-4'-methoxy-6-hydroxymethyl-8-methylflavan
0.000	[Flavan 3,4-diol]-A(1OMe)-B(2OMe)	Flavan 3,4-diol	Fisetinidol-4beta-ol 7,3',4'-trimethyl ether

Level: 3, プリカーサーm/z: 215.07016

Splash: splash10-0a4j-0900000000-91cb78bb6765286a7465

m/z	Int.	NL	Rel.Int.
159.15	608	56	1000
197.19	558	18	917
187.15	374	28	615
173.23	253	42	415
105.05	210	110	345
146.96	194	68	319
182.00	107	33	175
144.94	103	70	170
109.15	88	106	144
141.07	83	74	135
122.94	80	92	131
185.03	78	30	128
169.25	78	46	127
161.09	71	54	116
131.07	66	84	107
157.04	57	58	93
93.17	37	122	60
118.90	34	96	55
172.20	33	43	54
79.11	31	136	51

Level: 3, プリカーサーm/z: 100.81496

Splash: splash10-00di-9000000000-1a08ade04b69bd71c3eb