ピーク情報

タバコBY-2細胞　7日目

pos

Peak #1335 MN MID: SE204_S07_M90

m/z: 461.12886, RT: 33.45, 強度: 3557, ログ強度: 0.13, 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: 0.111, 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	-0.236	7-O-6'-O-Malonylcachinesidic acid	KNApSAcK: C00045196
C23H25O4N2SCl	460.12236	-1.682	Ponesimod	HMDB: HMDB0256699

Level: 2, プリカーサーm/z: 461.12817

Splash: splash10-03di-0190000000-a5ca14da5a54bbd1776f

m/z	Int.	NL	Rel.Int.
213.01	1056	248	1000
162.90	69	298	64
155.03	66	306	62
442.69	64	18	60

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OMe)	Flavone	Isoembigenin
0.111	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OMe)	Flavone	Embigenin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 2(C-Prenyl))	2'-Hydroxychalcone	Sophoradin
0.000	[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: 213.00513

Splash: splash10-0udj-0900000000-21c3759a0f32b2f9e80a

m/z	Int.	NL	Rel.Int.
154.98	364	58	1000
195.04	191	18	525
162.93	76	50	209