ピーク情報

＜香辛料類＞からし粉

pos

Peak #6009 MN MID: SE169_S170571_M90

m/z: 654.25477, RT: 53.64, 強度: 250962, ログ強度: 1.74, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: Triptregeline B

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.050

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
C34H39O12N	653.24723	0.411	Triptregeline B	KNApSAcK: C00056255

MSnスペクトル情報

Level: 2, プリカーサーm/z: 654.25366

Splash: splash10-0udi-0000910000-eec6952e89ff90958d23

m/z	Int.	NL	Rel.Int.
401.17	126516	253	1000
595.12	18361	59	145

Level: 3, プリカーサーm/z: 401.15942

Splash: splash10-0a4i-0980000000-4ca554b85579d06c5a00

m/z	Int.	NL	Rel.Int.
207.01	22472	194	1000
150.90	10670	250	474
175.06	8006	226	356
195.00	3144	206	139
147.04	1890	254	84
164.97	1258	236	56

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.050	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kenusanone E
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Isotirumalin
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Scariosin
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	Tirumalin
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(4-Formyl-5-(p-Hydroxyphenyl)furano)))	2'-Hydroxychalcone	Lophirone D
0.000	[Flavanone]-A(1OMe)-B(1([2,3:@@]-(5-(p-Methoxyphenyl)furano)))	Flavanone	Lophirone J
0.000	[Flavone]-A(2OH, 1(C-Digitoxopyranosyl))-B(1OH)	Flavone	Torosaflavone A
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Oliosyl))-B(1OH)	Flavone	6-C-beta-D-Oliopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Boivinosyl))-B(1OH)	Flavone	6-C-beta-D-Boivinopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-(beta-D-Epioliosyl))-B(1OH)	Flavone	6-C-beta-D-Epioliosylapigenin
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Angeloyl))	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-O-angelate
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	Flavonol	8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone
0.000	[Flavonol]-A(2OH, 1(3-methylsuccinoyl))-B(1OH)	Flavonol	3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone
0.000	[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe)	Flavonol	Brevicornin
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone
0.000	[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Flavonol	3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone
0.000	[Isoflavanone-3-ol]-A(2OH)-B(2OMe, 1(C-Prenyl))	Isoflavanone-3-ol	Echinoisoflavanone
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(2,3-Dihydroxy-3-methylbutyl))	Coumestan	Mirificoumestan glycol

Level: 3, プリカーサーm/z: 595.09393

Splash: splash10-0udi-0000900000-be12720284b31b82bea5

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 2(C-Glu))-B(1OH)	Flavone	Vicenin 2
[Isoflavone]-A(2OH, 2(C-Glu))-B(1OH)	Isoflavone	Paniculatin
[UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(2OH, 1(C-Glu), 1([3,2:m,n]-(Epoxy-C-glucosyl)))-B(1OH)	UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone	Safflor yellow A
[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH)	3-substituted Flavone	3,6-Di-C-glucosylapigenin
[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH)	3-substituted Flavone	3,8-Di-C-glucopyranosylapigenin
[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Galactosyl))-B(1OH)	Flavone	6,8-Di-C-galactopyranosylapigenin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
[Flavone]-A(2OH, 1(1(O-(E)-p-Coumaroyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-p-coumarate
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol
[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe)	Flavone	Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe)	Flavone	Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(2OH)	Flavone	Elatin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6,8-Di-C-arabinopyranosyltricin
[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6,8-Di-C-arabinopyranosylapometzgerin