ピーク情報

はつか大根　根

pos

Peak #4039 MN MID: SE202_S11_M90

m/z: 329.07062, RT: 39.68, 強度: 34449, ログ強度: 1.09, 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: CIF 2

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: 0.059, MS3: 0.143

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
C15H12O3N4S	328.06301	1.024	CIF 2	HMDB: HMDB0033622 KNApSAcK: C00054613

MSnスペクトル情報

Level: 2, プリカーサーm/z: 329.07025

Splash: splash10-001i-0090000000-6983e886bf2ef40fdc71

m/z	Int.	NL	Rel.Int.
283.08	99836	46	1000
272.08	5401	57	54

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.059	[Flavonol]-A(3OMe)-B(none)	Flavonol	3-Hydroxy-5,7,8-trimethoxyflavone
0.059	[Flavonol]-A(2OMe)-B(1OMe)	Flavonol	3-Hydroxy-7,8,4'-trimethoxyflavone
0.059	[Flavonol]-A(1OMe)-B(2OMe)	Flavonol	Fisetin 7,3',4'-trimethyl ether
0.048	[Isoflavone]-A(1OMe)-B(1OH, 2OMe)	Isoflavone	2'-Hydroxy-7,3',4'-trimethoxyisoflavone
0.048	[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	5-Methoxyafrormosin
0.048	[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	7,4'-Di-O-methyltectorigenin
0.048	[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	Iso-5-methoxyafrormosin
0.048	[Isoflavone]-A(1OH)-B(3OMe)	Isoflavone	7-Hydroxy-2',4',5'-trimethoxyisoflavone
0.048	[Isoflavone]-A(1OH, 1OMe)-B(2OMe)	Isoflavone	Cladrastin
0.048	[Isoflavone]-A(1OH, 1OMe)-B(2OMe)	Isoflavone	7-Hydroxy-8,3',4'-trimethoxyisoflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Grantionin
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Zapotinin
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	5-Hydroxy-7,2',5'-trimethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	5-Hydroxy-7,2',6'-trimethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Luteolin 5,3',4'-trimethyl ether
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Luteolin 7,3',4'-trimethyl ether
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Noratocarpetin 7,2',4'-trimethyl ether
0.000	[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	6-Hydroxy-5,7,4'-trimethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	Salvigenin
0.000	[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	7-Hydroxy-5,8,2'-trimethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	Andrographin
0.000	[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	Isoscutellarein 7,8,4'-trimethyl ether
0.000	[Flavone]-A(1OH, 3OMe)-B(none)	Flavone	8-Hydroxy-5,6,7-trimethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(none)	Flavone	Alnetin
0.000	[Chalcone]-A(4OMe)-B(none)	Chalcone	2',3',4',6'-Tetramethoxychalcone
0.000	[Aurone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe)	Aurone	6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone
0.000	[Aurone]-A(1OH, 2OMe)-B(1OMe)	Aurone	5-Hydroxy-4,6,4'-trimethoxyaurone
0.000	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Tephrone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Milletenone
0.000	[UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone]-A(1OH, 4Methyl)-B(1OH)	UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone	2-Hydroxy-7,8-dehydrograndiflorone
0.000	[Flavanone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavanone	7,2'-Dimethoxy-4',5'-methylenedioxyflavanone
0.000	[Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavanone	6,7-Dimethoxy-3',4'-methylenedioxyflavanone
0.000	[Flavanone]-A(2OMe, 1Hydroxymethyl, 1Methyl)-B(none)	Flavanone	5-O-Methylleridol
0.000	[Flavanone]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	Flavanone	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-methylflavanone
0.000	[Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavanone	5,7-Dimethoxy-3',4'-methylenedioxyflavanone
0.000	[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Flavanone	Betagarin
0.000	[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Flavanone	5,4'-Dimethoxy-6,7-methylenedioxyflavanone
0.000	[Flavone]-A(1OH, 1OMe, 2Methyl)-B(2OH)	Flavone	5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone
0.000	[Flavone]-A(2OH, 1([@@]-Methylenedioxy))-B(1OMe)	Flavone	Kanzakiflavone 1
0.000	[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Propionyl))	Dihydroflavonol	Pinobanksin 3-O-propionate
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)-C(1(O-Acetyl))	Dihydroflavonol	3,5-Dihydroxy-7-methoxyflavanone 3-O-acetate
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(none)-C(1(O-Acetyl))	Dihydroflavonol	6-Methypinobanksin 3-O-acetate
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OH)	Flavonol	Kaempferol 3,5,7-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe)	Flavonol	Kaempferol 3,7,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavonol	8-Demethyllatifolin
0.000	[Flavonol]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavonol	6,8-Di-C-methylkaempferol 7-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(1OH)	Flavonol	5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none)	Flavonol	Alnustin
0.000	[Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Flavonol	5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none)	Flavonol	7-Hydroxy-3,5,8-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none)	Flavonol	Methylgnaphaliin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe, 1Methyl)-B(none)	Flavonol	Platanin 3,7-dimethyl ether
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol (4-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy))	CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol	4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone
0.000	[Isoflavone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Dalspinin
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	5,4'-Trihydroxy-3'-methoxy-6,7-methylenedioxyisoflavone
0.000	[Isoflavanone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavanone	6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone
0.000	[Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	2-Methoxypterocarpin
0.000	[Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	4-Methoxypterocarpin
0.000	[Pterocarpan-6a-ol]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Acanthocarpan
0.000	[Pterocarpan-6-ol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6-ol	6-Methoxypterocarpin
0.000	[UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OH, 1OMe)-B(1OMe)	UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene	Bryaquinone
0.000	[Pterocarpene]-A(1OMe)-B(1OH, 2OMe)	Pterocarpene	Bryacarpene 2
0.000	[Pterocarpene]-A(1OH, 1OMe)-B(2OMe)	Pterocarpene	Bryacarpene 4
0.000	[4-phenylcoumarin]-A(2OMe)-B(1OH, 1OMe)	4-phenylcoumarin	3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 2OMe)-B(1OMe)	4-phenylcoumarin	Exostemin

Level: 3, プリカーサーm/z: 283.07507

Splash: splash10-004i-0090000000-0f7a23533fa7ad6e84a0

m/z	Int.	NL	Rel.Int.
226.00	48629	57	1000
254.02	7047	29	144
227.02	2496	56	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Coumestan]-A(1OH)-B(1OMe)	Coumestan	9-O-Methylcoumestrol
0.045	[Isoflavone]-A(1OMe)-B(1OMe)	Isoflavone	7,4'-Di-O-methyldaidzein
0.045	[Isoflavone]-A(2OMe)-B(none)	Isoflavone	5,7-Dimethoxyisoflavone
0.000	[Flavone]-A(2OMe)-B(none)	Flavone	7,8-Dimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(none)	Flavone	5,6-Dimethoxyflavone
0.000	[Flavone]-A(1OMe)-B(1OMe)	Flavone	6,3'-Dimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(none)	Flavone	chrysin 5,7-dimethyl ether
0.000	[Aurone]-A(1OH, 1([@@]-Methylenedioxy))-B(none)	Aurone	4,5-Methylenedioxy-6-hydroxyaurone
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone]-A(1OH, 3Methyl)-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone	Ohobanin
0.000	[UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone]-A(1([2,3:@@]-(5-Oxotetrahydrofurano)))-B(none)	UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone	Cryptocaryone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Dihydrochalcone alpha-ol	Castillene E
0.000	[Flavone]-A(1OH, 1Methyl)-B(1OMe)	Flavone	Saltillin
0.000	[Flavone]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavone	6-Methyltectochrysin
0.000	[Flavone]-A(2OH, 2Methyl)-B(none)	Flavone	Matteuorien
0.000	[Flavonol (3-OMe)]-A(1OMe)-B(none)	Flavonol	3,7-Dimethoxyflavone
0.000	[Isoflavone]-A(1OH)-B(1OH, 1Formyl)	Isoflavone	Corylinal
0.000	[Isoflavone]-A(1OH)-B(1([@@]-Methylenedioxy))	Isoflavone	Pseudobaptigenin
0.000	[Pterocarpene]-A(1OMe)-B(1OMe)	Pterocarpene	Anhydrovariabilin
0.000	[Pterocarpene]-A(1OH)-B(1([@@]-Methylenedioxy))	Pterocarpene	3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene
0.000	[Coumestan]-A(1Methyl)-B(2OH)	Coumestan	8,9-Dihydroxy-1-methylcoumestan
0.000	[4-phenylcoumarin]-A(2OMe)-B(none)	4-phenylcoumarin	Methyldalbergin

Level: 3, プリカーサーm/z: 272.07709

Splash: splash10-004i-0090000000-6d99c316dec8276fc7ed

m/z	Int.	NL	Rel.Int.
226.10	1391	46	1000
244.03	344	28	246
228.07	158	44	113
254.09	146	18	104
272.13	94	-0	67