ピーク情報

＜アルコール飲料類＞（醸造酒類）清酒純米吟醸酒

pos

Peak #5352 MN MID: SE117_S160051_M90

m/z: 323.19644, RT: 43.98, 強度: 11936, ログ強度: 0.56, アダクト: [M+CH3OH+IsoProp+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (3 names) (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid;Metomidate;cyclic Melatonin;

DBごとのヒット数: ALL 4 KG 1 HM 3

FlavonoidSearch最大スコア MS2: 0.167, 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
C13H14O2N2	230.10553	-0.400	(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid	HMDB: HMDB0037942
C13H14O2N2	230.10553	-0.400	Metomidate	HMDB: HMDB0254679
C13H14O2N2	230.10553	-0.400	cyclic Melatonin	HMDB: HMDB0060811
C13H14O2N2	230.10553	-0.400	4-(N-Maleimido)phenyltrimethylammonium iodide	KEGG: [1f]C13678

MSnスペクトル情報

Level: 2, プリカーサーm/z: 323.19580

Splash: splash10-03di-0090000000-3868778d9886cf66aa8d

m/z	Int.	NL	Rel.Int.
210.05	74104	113	1000
277.07	4140	46	55

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Dihydroflavonol	3-Hydroxyisolonchocarpin
0.100	[Chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Chalcone	Munsericin
0.071	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	4'-Hydroxyisolonchocarpin
0.071	[Flavanone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinone I
0.071	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Flemichapparin A
0.071	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Kanzonol B
0.071	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Isobavachromene
0.071	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Bavachromene
0.059	[Flavone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavone	7,4'-Dihydroxy-8-prenylflavone
0.059	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Kanzonol D
0.059	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Licoflavone A
0.059	[Flavone]-A(2OH, 1(C-Prenyl))-B(none)	Flavone	5,7-Dihydroxy-8-prenylflavone
0.056	[Isoflavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Isoflavone	Neobavaisoflavone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Obovatin
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(none)	Flavanone	Isoderricin A
0.000	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan	Neorautenol
0.000	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Phaseollin
0.000	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Isoneorautenol
0.000	[Flavan 3-ol]-A(4OH)-B(2OH)	Flavan 3-ol	Elephantorrhizol
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Derricin
0.000	[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Chalcone	Ovalitenin C
0.000	[Flavone]-A(1([2,3:@@]-Furano))-B(2OMe)	Flavone	Millettocalyxin C
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavonol	3,4'-Dimethoxyfurano[2,3:7,8]flavone
0.000	[Flavan 3,4-diol]-A(2OH)-B(3OH)	Flavan 3,4-diol	Gallocatechin-4-ol
0.000	[isoflavene]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	isoflavene	Glabrene

Level: 3, プリカーサーm/z: 210.05203

Splash: splash10-0006-0900000000-69f1d4f0aec3f55d159a

m/z	Int.	NL	Rel.Int.
192.99	34183	17	1000
136.00	6895	74	201

Level: 3, プリカーサーm/z: 277.07190

Splash: splash10-0002-0090000000-c88f8a13fb361a4233b9