ピーク情報

＜アルコール飲料類＞（醸造酒類）清酒純米吟醸酒

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Peak #5781 MN MID: SE117_S160051_M90

m/z: 403.23424, RT: 47.88, 強度: 5208, ログ強度: 0.20, 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: (4 names) Cinitapride;5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid;3,3-Bis(carboxymethyl)hexadecanedioic acid;Acetyl tributyl citrate

DBごとのヒット数: ALL 4 HM 3 LM 1

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
C21H30O4N4	402.22671	0.636	Cinitapride	HMDB: HMDB0015698
C20H34O8	402.22537	3.961	5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid	LipidMAPS: LMFA03000011
C20H34O8	402.22537	3.961	3,3-Bis(carboxymethyl)hexadecanedioic acid	HMDB: HMDB0257897
C20H34O8	402.22537	3.961	Acetyl tributyl citrate	HMDB: HMDB0034159

MSnスペクトル情報

Level: 2, プリカーサーm/z: 403.23428

Splash: splash10-0udi-0009000000-099aa051c7a56e4a4099

m/z	Int.	NL	Rel.Int.
300.09	18300	103	1000
272.16	1839	131	100
386.22	1435	17	78

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone B
[Flavone]-A(2OMe)-B(4OMe)	Flavone	5,6,2',3',5',6'-Hexamethoxyflavone
[Flavone]-A(3OMe)-B(3OMe)	Flavone	5,6,8,3',4',5'-Hexamethoxyflavone
[Flavone]-A(2OMe)-B(4OMe)	Flavone	5,6,2',3',4',6'-Hexamethoxyflavone
[Flavone]-A(3OMe)-B(3OMe)	Flavone	5,6,7,3',4',5'-Hexamethoxyflavone
[Flavone]-A(3OMe)-B(3OMe)	Flavone	Bannamurpanisin
[Flavone]-A(4OMe)-B(2OMe)	Flavone	Nobiletin
[Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(2OH)	Dihydroflavonol	Paraibanol
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH)	2'-Hydroxychalcone	8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(2OMe)	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone K
[Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none)	Flavanone	Calomelanol I
[Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH)	Flavanone	Calomelanol H
[Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH)	Flavone	Cerarvensin
[Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH)	Flavone	Isomollupentin
[Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH)	Flavone	Mollupentin
[Flavone]-A(1OH, 3OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Cinnamoyl))	Dihydroflavonol	Pinobanksin 3-O-cinnamate
[Flavonol (3-OMe)]-A(2OMe)-B(3OMe)	Flavonol	Myricetin hexamethyl ether
[Flavonol (3-OMe)]-A(2OMe)-B(3OMe)	Flavonol	3,5,7,2',4',5'-Hexamethoxyflavone
[Flavonol (3-OMe)]-A(3OMe)-B(2OMe)	Flavonol	Quercetagetin hexamethyl ether
[Flavonol (3-OMe)]-A(3OMe)-B(2OMe)	Flavonol	Gossypetin hexamethyl ether
[Flavonol (3-OMe)]-A(4OMe)-B(1OMe)	Flavonol	3,5,6,7,8,4'-Hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	5-Demethylmelibentin
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
[Pterocarpan-6a-ol]-A(1OH)-B(2OMe, 1(3-hydroxy-3-methylbutyl))	Pterocarpan-6a-ol	Sphenostylin D
[4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	4-phenylcoumarin	Inophyllum E
[4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	4-phenylcoumarin	Tomentolide A