ピーク情報

タバコBY-2細胞　3日目

pos

Peak #1447 MN MID: SE204_S03_M90

m/z: 461.12876, RT: 33.47, 強度: 4554, ログ強度: 0.27, 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: (2 names) 7-O-6'-O-Malonylcachinesidic acid;Ponesimod

DBごとのヒット数: ALL 2 KN 1 HM 1

FlavonoidSearch最大スコア MS2: 0.143, 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
C19H24O13	460.12169	-0.446	7-O-6'-O-Malonylcachinesidic acid	KNApSAcK: C00045196
C23H25O4N2SCl	460.12236	-1.892	Ponesimod	HMDB: HMDB0256699

Level: 2, プリカーサーm/z: 461.12863

Splash: splash10-03di-0090000000-7289914eb553a7ae453a

m/z	Int.	NL	Rel.Int.
213.04	671	248	1000
443.21	34	18	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OMe)	Flavone	Isoembigenin
0.143	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OMe)	Flavone	Embigenin
0.056	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 2(C-Prenyl))	2'-Hydroxychalcone	Sophoradin
0.056	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH, 2(C-Prenyl))	Flavanone	Sophoranone
0.000	[UBR-type derivative / 2',4'-Dioxo-5'-enyl-0-hydroxy-type Chalcone]-A(3(C-Prenyl))-B(1OH)	UBR-type derivative / 2',4'-Dioxo-5'-enyl-0-hydroxy-type Chalcone	Munchiwarin
0.000	[Flavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavan	Kazinol H

Level: 3, プリカーサーm/z: 213.04370

Splash: splash10-0udi-0900000000-0c3c1701c598dfe2b01b

m/z	Int.	NL	Rel.Int.
154.95	328	58	1000
195.04	117	18	356
163.01	95	50	291