ピーク情報

イネ　玄米　ニッポンバレ

pos

Peak #728 MN MID: SE199_S21_M90

m/z: 333.12924, RT: 12.78, 強度: 11145, ログ強度: 0.65, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (3 names) Mytilin A;N-[3-[(Carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-ylidene]serine, 9CI.;(2,3-diphenylcyclopropyl)methyl Phenyl Sulfoxide

DBごとのヒット数: ALL 3 KN 1 HM 2

FlavonoidSearch最大スコア MS2: -, 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
C13H20O8N2	332.12197	-0.019	Mytilin A	HMDB: HMDB0039002
C13H20O8N2	332.12197	-0.019	N-[3-[(Carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-ylidene]serine, 9CI.	KNApSAcK: C00054306
C22H20OS	332.12349	-4.597	(2,3-diphenylcyclopropyl)methyl Phenyl Sulfoxide	HMDB: HMDB0062791

MSnスペクトル情報

Level: 2, プリカーサーm/z: 333.12894

Splash: splash10-00di-0900000000-dcdd20b6e8fa6ad86e8f

m/z	Int.	NL	Rel.Int.
171.06	45119	162	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1OMe)-B(3OH)	Flavone	3',4',5'-Trihydroxywogonin
[Flavone]-A(3OH, 1OMe)-B(2OH)	Flavone	5,7,8,3',4'-Pentahydroxy-6-methoxyflavone
[Flavone]-A(3OH, 1OMe)-B(2OH)	Flavone	5,6,7,3',4'-Pentahydroxy-8-methoxyflavone
[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 7,3'-dimethyl ether
[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 7,4'-dimethyl ether
[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone
[Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe)	Dihydroflavonol	3,5,7-Trihydroxy-6,4'-dimethoxyflavanone
[Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe)	Dihydroflavonol	3,5,7-Trihydroxy-8,4'-dimethoxyflavanone
[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone
[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone
[Dihydroflavonol]-A(1OH, 2OMe)-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-6,7-dimethoxyflavanone
[Dihydroflavonol]-A(1OH, 2OMe)-B(1OH)	Dihydroflavonol	3,5,2'-Trihydroxy-7,8-dimethoxyflavanone
[Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavanone	Dihydrotricetin 7,3'-dimethyl ether
[Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavanone	5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone
[Flavanone]-A(1OH, 2OMe)-B(2OH)	Flavanone	Dioclein
[Flavanone]-A(1OH, 2OMe)-B(2OH)	Flavanone	5,2',5'-Trihydroxy-7,8-dimethoxyflavanone
[Flavanone]-A(2OH)-B(1OH, 2OMe)	Flavanone	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone
[Flavanone]-A(2OH)-B(1OH, 2OMe)	Flavanone	5,7,4'-Trihydroxy-3',5'-dimethoxyflavanone
[Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Duartin
[Isoflavan]-A(1OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Isoduartin
[Isoflavan]-A(1OH)-B(1OH, 3OMe)	Isoflavan	Lonchocarpan
[Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe)	Dihydrochalcone	2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone
[Dihydrochalcone]-A(2OH, 1OMe)-B(2OMe)	Dihydrochalcone	2',6'-Dihydroxy-3,4,4'-trimethoxydihydrochalcone
[Dihydrochalcone]-A(2OH, 3OMe)-B(none)	Dihydrochalcone	Dihydropedicin
[Dihydrochalcone]-A(2OH, 3OMe)-B(none)	Dihydrochalcone	3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone
[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Myricetin 5-methyl ether
[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Europetin
[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Allopatuletin
[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Patuletin
[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Quercetagetin 7-methyl ether
[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Ranupetin
[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Corniculatusin
[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3'-methyl ether
[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 4'-methyl ether
[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Haplogenin
[Flavonol]-A(2OH)-B(2OH, 1OMe)	Flavonol	Laricitrin
[Flavonol]-A(2OH)-B(2OH, 1OMe)	Flavonol	Mearnsetin
[Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 5,7,3'-trimethyl ether
[Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 5,7,4'-trimethyl ether
[Isoflavanone]-A(2OH)-B(1OH, 2OMe)	Isoflavanone	Parvisoflavanone
[CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone]-A(2OH)-B(2OH)	CCS-type derivative / [2,2']-Epoxymethano-alpha-hydroxydihydroaurone	Crombenin
[Flavonol (3-OMe)]-A(2OH)-B(3OH)	Flavonol	Annulatin
[Flavonol]-A(2OH, 1Methyl)-B(3OH)	Flavonol	Pinomyricetin
[Flavonol]-A(2OH)-B(3OH, 1Methyl)	Flavonol	2'-C-Methylmyricetin
[Flavonol (3-OMe)]-A(3OH)-B(2OH)	Flavonol	Quercetagetin 3-methyl ether
[Flavonol (3-OMe)]-A(3OH)-B(2OH)	Flavonol	Gossypetin 3-methyl ether
[4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(none)	4-substituted Flavan 3-ol	3'-Deoxydryopteric acid
[Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OMe)	Flavan 4-ol	4,5,7-Trihydroxy-4'-methoxy-6-hydroxymethyl-8-methylflavan
[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: 171.02371

Splash: splash10-004i-1900000000-534976dae0c87678b73b

m/z	Int.	NL	Rel.Int.
125.02	7246	46	1000
96.01	862	75	118