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 #1698 MN MID: SE122_S170361_M90

m/z: 291.10730, RT: 29.48, 強度: 16482, ログ強度: 0.70, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 7

DB検索結果: (3 names) 2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran;Osmundalin;Furaneol 4-glucoside

DBごとのヒット数: ALL 3 KN 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
C12H18O8	290.10017	-0.503	2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran	KNApSAcK: C00029438
C12H18O8	290.10017	-0.503	Osmundalin	HMDB: HMDB0031304 KNApSAcK: C00048034
C12H18O8	290.10017	-0.503	Furaneol beta-D-glucopyranoside	HMDB: HMDB0032992 KNApSAcK: C00036464

Level: 2, プリカーサーm/z: 291.10727

Splash: splash10-004i-0900000000-080329eb15a23512f776

m/z	Int.	NL	Rel.Int.
128.95	4636	162	1000
273.11	353	18	76

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

Level: 3, プリカーサーm/z: 128.90468

Splash: splash10-0w29-2900000000-253c60b304defb3f9c0c

m/z	Int.	NL	Rel.Int.
100.91	485	28	1000
110.95	406	18	837
86.96	122	42	251
82.95	103	46	212

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
	29.47	313.08914	21.9818	-0.23	[M+Na]+	(3 names) 2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran; Osmundalin; Furaneol 4-glucoside	ALL 3 KN 3				1
1698	29.48	291.10730	0.0000	0.70	[M+H]+	(3 names) 2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran; Osmundalin; Furaneol 4-glucoside	ALL 3 KN 3	MS2 MS3	0.167		7