ピーク情報

イネ　玄米　ニッポンバレ

pos

Peak #3948 MN MID: SE199_S21_M90

m/z: 545.16510, RT: 56.68, 強度: 112688, ログ強度: 1.65, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6

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: 0.167

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	-0.474	3,5-Diferuloylquinic acid	HMDB: HMDB0301726
C27H28O12	544.15808	-0.474	4-Hydroxytremulacin	KNApSAcK: C00038278
C27H28O12	544.15808	-0.474	Homaloside D	KNApSAcK: C00039381
C27H28O12	544.15808	-0.474	1-O-Methyl-3,5-O-dicaffeoyl quinic acid methyl ester	KNApSAcK: C00050653
C27H28O12	544.15808	-0.474	Hydroxyrubicin	HMDB: HMDB0253290
C27H28O12	544.15808	-0.474	Curcumin glucuronide	HMDB: HMDB0240491
C27H28O12	544.15808	-0.474	1,5-Diferuloylquinic acid	HMDB: HMDB0041641
C27H28O12	544.15808	-0.474	Itoside D	KNApSAcK: C00039463
C27H28O12	544.15808	-0.474	Hirsutissimiside A	KNApSAcK: C00031858
C27H28O12	544.15808	-0.474	Cochinchiside B	KNApSAcK: C00043404
C27H28O12	544.15808	-0.474	3,4-Diferuloylquinic acid	HMDB: HMDB0301725
C27H28O12	544.15808	-0.474	Methyl 3,4-dicaffeoylquinate	HMDB: HMDB0037093
C27H28O12	544.15808	-0.474	Itoside C	KNApSAcK: C00039462
C27H28O12	544.15808	-0.474	Premithramycin A1	KEGG: C12384

MSnスペクトル情報

Level: 2, プリカーサーm/z: 545.16443

Splash: splash10-0a59-0195000000-6d49258f043caf9d5a6c

m/z	Int.	NL	Rel.Int.
207.01	19282	338	1000
332.99	11812	212	612
175.00	2463	370	127
177.04	1441	368	74
315.12	1381	230	71
259.17	1066	286	55

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: 207.01132

Splash: splash10-00di-0900000000-b9c455a3990b89ad13e7

m/z	Int.	NL	Rel.Int.
174.99	11750	32	1000

Level: 3, プリカーサーm/z: 332.98804

Splash: splash10-0a4i-0090000000-901ac082d79cc881a735

m/z	Int.	NL	Rel.Int.
207.00	4838	126	1000
315.09	737	18	152
271.12	619	62	127
273.09	534	60	110
283.13	427	50	88
175.00	265	158	54
287.10	243	46	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 7,3'-dimethyl ether
0.167	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 7,4'-dimethyl ether
0.167	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone
0.143	[Isoflavanone]-A(2OH)-B(1OH, 2OMe)	Isoflavanone	Parvisoflavanone
0.125	[Flavanone]-A(2OH)-B(1OH, 2OMe)	Flavanone	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone
0.125	[Flavanone]-A(2OH)-B(1OH, 2OMe)	Flavanone	5,7,4'-Trihydroxy-3',5'-dimethoxyflavanone
0.105	[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Myricetin 5-methyl ether
0.105	[Flavonol]-A(1OH, 1OMe)-B(3OH)	Flavonol	Europetin
0.105	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Allopatuletin
0.105	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Patuletin
0.105	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Quercetagetin 7-methyl ether
0.105	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Ranupetin
0.105	[Flavonol]-A(2OH, 1OMe)-B(2OH)	Flavonol	Corniculatusin
0.105	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3'-methyl ether
0.105	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Quercetagetin 4'-methyl ether
0.105	[Flavonol]-A(3OH)-B(1OH, 1OMe)	Flavonol	Haplogenin
0.105	[Flavonol]-A(2OH)-B(2OH, 1OMe)	Flavonol	Laricitrin
0.105	[Flavonol]-A(2OH)-B(2OH, 1OMe)	Flavonol	Mearnsetin
0.100	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe)	Dihydroflavonol	3,5,7-Trihydroxy-6,4'-dimethoxyflavanone
0.100	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OMe)	Dihydroflavonol	3,5,7-Trihydroxy-8,4'-dimethoxyflavanone
0.100	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,2'-Trihydroxy-7,5'-dimethoxyflavanone
0.100	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,3'-Trihydroxy-7,2'-dimethoxyflavanone
0.100	[Dihydroflavonol]-A(1OH, 2OMe)-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-6,7-dimethoxyflavanone
0.100	[Dihydroflavonol]-A(1OH, 2OMe)-B(1OH)	Dihydroflavonol	3,5,2'-Trihydroxy-7,8-dimethoxyflavanone
0.091	[Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 5,7,3'-trimethyl ether
0.091	[Flavan 3-ol]-A(2OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 5,7,4'-trimethyl ether
0.059	[Flavanone]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavanone	Dihydrotricetin 7,3'-dimethyl ether
0.059	[Flavanone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavanone	5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone
0.059	[Flavanone]-A(1OH, 2OMe)-B(2OH)	Flavanone	Dioclein
0.059	[Flavanone]-A(1OH, 2OMe)-B(2OH)	Flavanone	5,2',5'-Trihydroxy-7,8-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	[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	[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