ピーク情報

イネ　玄米　ニッポンバレ

pos

Peak #3600 MN MID: SE199_S21_M90

m/z: 545.16595, RT: 47.85, 強度: 3064, ログ強度: 0.09, 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: (18 names) 3,5-Diferuloylquinic acid;4-Hydroxytremulacin;Homaloside D;1-O-Methyl-3,5-O-dicaffeoyl quinic acid methyl ester;Hydroxyrubicin;Curcumin glucuronide;1,5-Diferuloylquinic acid;Itoside D;(-)-Itoside D;Pr...

DBごとのヒット数: ALL 14 KG 1 KN 7 HM 6

FlavonoidSearch最大スコア MS2: -, MS3: 0.111

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
C27H28O12	544.15808	1.092	3,5-Diferuloylquinic acid	HMDB: HMDB0301726
C27H28O12	544.15808	1.092	4-Hydroxytremulacin	KNApSAcK: C00038278
C27H28O12	544.15808	1.092	Homaloside D	KNApSAcK: C00039381
C27H28O12	544.15808	1.092	1-O-Methyl-3,5-O-dicaffeoyl quinic acid methyl ester	KNApSAcK: C00050653
C27H28O12	544.15808	1.092	Hydroxyrubicin	HMDB: HMDB0253290
C27H28O12	544.15808	1.092	Curcumin glucuronide	HMDB: HMDB0240491
C27H28O12	544.15808	1.092	1,5-Diferuloylquinic acid	HMDB: HMDB0041641
C27H28O12	544.15808	1.092	Itoside D	KNApSAcK: C00039463
C27H28O12	544.15808	1.092	Hirsutissimiside A	KNApSAcK: C00031858
C27H28O12	544.15808	1.092	Cochinchiside B	KNApSAcK: C00043404
C27H28O12	544.15808	1.092	3,4-Diferuloylquinic acid	HMDB: HMDB0301725
C27H28O12	544.15808	1.092	Methyl 3,4-dicaffeoylquinate	HMDB: HMDB0037093
C27H28O12	544.15808	1.092	Itoside C	KNApSAcK: C00039462
C27H28O12	544.15808	1.092	Premithramycin A1	KEGG: C12384

MSnスペクトル情報

Level: 2, プリカーサーm/z: 545.16602

Splash: splash10-0a59-0195000000-7529b4155684e322ea2d

m/z	Int.	NL	Rel.Int.
207.03	905	338	1000
333.09	528	212	583
175.07	94	370	104
177.11	83	368	91
259.12	64	286	71
315.18	52	230	57

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(2OH, 1Geranyl)	2'-Hydroxychalcone	Prorepensin

Level: 3, プリカーサーm/z: 207.05832

Splash: splash10-00di-0900000000-fe2abd65c58b7e25272e

m/z	Int.	NL	Rel.Int.
174.99	575	32	1000

Level: 3, プリカーサーm/z: 333.04620

Splash: splash10-0a4i-0090000000-d081a80aaee6c61654c0

m/z	Int.	NL	Rel.Int.
207.11	276	126	1000
271.18	37	62	134
272.97	22	60	78
283.19	19	50	70
259.20	16	74	58
111.08	14	222	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Myricetin 5-methyl ether
0.111	[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Europetin
0.111	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Allopatuletin
0.111	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Patuletin
0.111	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Quercetagetin 7-methyl ether
0.111	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Ranupetin
0.111	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Corniculatusin
0.111	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3'-methyl ether
0.111	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 4'-methyl ether
0.111	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Haplogenin
0.111	[Flavonol]-A(2OH)-B(2OH, 1OMe)	Flavonol	Laricitrin
0.111	[Flavonol]-A(2OH)-B(2OH, 1OMe)	Flavonol	Mearnsetin
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
0.000	[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	[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