ピーク情報

（ふき類）ふきのとう花序生

pos

Peak #14708 MN MID: SE114_S062581_M90

m/z: 333.15200, RT: 86.82, 強度: 237190, ログ強度: 1.89, 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: 0.059, 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	0.299	S-Petasitin	KNApSAcK: C00050236
C19H26O4S	350.15518	0.299	Petasone A	KNApSAcK: C00050186, C00050187
C19H26O4S	350.15518	0.299	S-Petasitolide A	KNApSAcK: C00017402, C00017403
C19H26O4S	350.15518	0.299	Eremopetasin sulfoxide	HMDB: HMDB0032003
C19H26O4S	350.15518	0.299	Propargite	HMDB: HMDB0256819 KEGG: C18602

MSnスペクトル情報

Level: 2, プリカーサーm/z: 333.15161

Splash: splash10-0gb9-0390000000-1b54af8d510c4e5965ef

m/z	Int.	NL	Rel.Int.
215.14	9800	118	1000
100.90	5156	232	526
233.19	4497	100	458
259.20	590	74	60

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.059	[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Myricetin 5-methyl ether
0.059	[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Europetin
0.059	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Allopatuletin
0.059	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Patuletin
0.059	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Quercetagetin 7-methyl ether
0.059	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Ranupetin
0.059	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Corniculatusin
0.059	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3'-methyl ether
0.059	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 4'-methyl ether
0.059	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Haplogenin
0.059	[Flavonol]-A(2OH)-B(2OH, 1OMe)	Flavonol	Laricitrin
0.059	[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(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 7,3'-dimethyl ether
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 7,4'-dimethyl ether
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone
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	[Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavanone	Dihydrotricetin 7,3'-dimethyl ether
0.000	[Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavanone	5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone
0.000	[Flavanone]-A(1OH, 2OMe)-B(2OH)	Flavanone	Dioclein
0.000	[Flavanone]-A(1OH, 2OMe)-B(2OH)	Flavanone	5,2',5'-Trihydroxy-7,8-dimethoxyflavanone
0.000	[Flavanone]-A(2OH)-B(1OH, 2OMe)	Flavanone	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone
0.000	[Flavanone]-A(2OH)-B(1OH, 2OMe)	Flavanone	5,7,4'-Trihydroxy-3',5'-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: 215.14093

Splash: splash10-0a4i-0900000000-99ff9d4d50426a582302

m/z	Int.	NL	Rel.Int.
159.04	4042	56	1000
197.17	705	18	174
173.02	264	42	65
119.04	262	96	64
187.03	208	28	51

Level: 3, プリカーサーm/z: 100.89919

Splash: splash10-00di-9000000000-17b6a343fc11d7fcbe9e