ピーク情報

＜調味料類＞（トマト加工品類）トマトケチャップ

pos

Peak #4857 MN MID: SE122_S170361_M90

m/z: 309.08681, RT: 59.19, 強度: 345446, ログ強度: 2.02, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 13

DB検索結果: (3 names) Methylisatoid;Chaetominedione;Flazine

DBごとのヒット数: ALL 3 KN 2 HM 1

FlavonoidSearch最大スコア MS2: 0.059, 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
C17H12O4N2	308.07971	-0.579	Methylisatoid	KNApSAcK: C00039763
C17H12O4N2	308.07971	-0.579	Chaetominedione	KNApSAcK: C00048650
C17H12O4N2	308.07971	-0.579	Flazine	HMDB: HMDB0033459

Level: 2, プリカーサーm/z: 309.08643

Splash: splash10-0006-0090000000-60b12fbdbc95feebbd11

m/z	Int.	NL	Rel.Int.
291.06	1776055	18	1000
309.18	93298	-0	52

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.059	[Flavanone]-A(1OH, 1(C-Prenyl))-B(none)	Flavanone	Ovaliflavanone B
0.059	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isocordoin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(1,1-Dimethylallyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3'-(1,1-Dimethylallyl)chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	O-Methylpongamol
0.000	[Flavanone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavanone	3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavonol	3-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neodulin

Level: 3, プリカーサーm/z: 291.06125

Splash: splash10-03di-0090000000-e684c58e123e646e5d2e

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH)-B(2OH)	Dihydrochalcone	3,4,2',4',6'-Pentahydroxydihydrochalcone
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Mesquitol
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	3,5,7,3',5'-Pentahydroxyflavan
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Catechin
[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	Robinetinidol
[Dihydrochalcone alpha-ol]-A(3OH)-B(1OH)	Dihydrochalcone alpha-ol	Nubigenol
[Dihydrochalcone alpha-ol]-A(2OH)-B(2OH)	Dihydrochalcone alpha-ol	3,4,2',4',alpha-Pentahydroxydihydrochalcone
[Flavan 4-ol]-A(2OH)-B(2OH)	Flavan 4-ol	Luteoforol
[Flavan 3,4-diol]-A(1OH)-B(2OH)	Flavan 3,4-diol	3,4,7,3',4'-Pentahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,7,8,4'-Pentahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,5,7,4'-Pentahydroxyflavan

m/z	Int.	NL	Rel.Int.
263.07	1016143	28	1000
281.06	126750	10	124