ピーク情報

細ネギ（若香）地下部

pos

Peak #1832 MN MID: SE201_S21_M90

m/z: 428.11515, RT: 32.71, 強度: 27206, ログ強度: 0.85, 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: (S,S)-2-{1-Carboxy-2-[3-(3,5-dichloro-benzyl)-3H-imidazol-4-YL]-ethylamino}-4-methyl-pentanoic acid

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: -, 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
C19H23O4N3Cl2	427.10656	3.065	(S,S)-2-{1-Carboxy-2-[3-(3,5-dichloro-benzyl)-3H-imidazol-4-YL]-ethylamino}-4-methyl-pentanoic acid	HMDB: HMDB0254803

MSnスペクトル情報

Level: 2, プリカーサーm/z: 428.11465

Splash: splash10-0002-0090000000-b92fb4148e64f3b43a08

m/z	Int.	NL	Rel.Int.
299.02	75652	129	1000
219.10	24327	209	321
348.10	6771	80	89
353.16	4287	75	56

Level: 3, プリカーサーm/z: 299.01953

Splash: splash10-014i-0090000000-073c4e9be52c0fc1dbce

m/z	Int.	NL	Rel.Int.
219.05	63375	80	1000
249.03	4713	50	74

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH)-B(2OMe)	Flavone	7-Hydroxy-3',4'-dimethoxyflavone
[Flavone]-A(1OMe)-B(1OH, 1OMe)	Flavone	Tithonine
[Flavone]-A(1OH, 1OMe)-B(1OMe)	Flavone	5-Hydroxy-6,2'-dimethoxyflavone
[Flavone]-A(1OH, 1OMe)-B(1OMe)	Flavone	5-Hydroxy-7,2'-dimethoxyflavone
[Flavone]-A(1OH, 1OMe)-B(1OMe)	Flavone	Apigenin 5,4'-dimethyl ether
[Flavone]-A(2OMe)-B(1OH)	Flavone	Apigenin 5,7-dimethyl ether
[Flavone]-A(1OH, 1OMe)-B(1OMe)	Flavone	Apigenin 7,4'-dimethyl ether
[Flavone]-A(1OH, 2OMe)-B(none)	Flavone	Baicalein 5,6-dimethyl ether
[Flavone]-A(1OH, 2OMe)-B(none)	Flavone	Mosloflavone
[Flavone]-A(1OH, 2OMe)-B(none)	Flavone	Norwogonin 5,8-dimethyl ether
[Flavone]-A(1OH, 2OMe)-B(none)	Flavone	Moslosooflavone
[Isoflavone]-A(1OH)-B(2OMe)	Isoflavone	Cladrin
[Isoflavone]-A(1OH, 1OMe)-B(1OMe)	Isoflavone	Afrormosin
[Isoflavone]-A(1OH, 1OMe)-B(1OMe)	Isoflavone	Alfalone
[Isoflavone]-A(1OH, 1OMe)-B(1OMe)	Isoflavone	5-O-Methylbiochanin A
[Isoflavone]-A(1OMe)-B(1OH, 1OMe)	Isoflavone	Sayanedine
[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	8-O-Methylretusin
[Coumestan]-A(1OH)-B(1OH, 1OMe)	Coumestan	8-Methoxycoumestrol
[Coumestan]-A(1OH)-B(1OH, 1OMe)	Coumestan	Trifoliol
[Coumestan]-A(1OH, 1OMe)-B(1OH)	Coumestan	Sativol
[Flavonol]-A(2OMe)-B(none)	Flavonol	Galangin 5,7-dimethyl ether
[Chalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH)	Chalcone	Isoneobavachalcone
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH)	2'-Hydroxychalcone	Neobavachalcone
[2'-Hydroxychalcone]-A(1OH, 2OMe, 1Methyl)-B(none)	2'-Hydroxychalcone	Aurentiacin
[2'-Hydroxychalcone]-A(2OH, 1OMe, 2Methyl)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone
[UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(1OH, 1OMe, 2Methyl)-B(none)	UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone	Ceroptene
[UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone]-A(1Methoxycarbonylmethyl)-B(none)	UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone	Infectocaryone
[Flavanone]-A(1OMe, 1Methyl)-B(1OMe)	Flavanone	7,4'-Dimethoxy-6-C-methylflavanone
[Flavanone]-A(2OMe, 1Methyl)-B(none)	Flavanone	5,7-Dimethoxy-6-C-methylflavanone
[Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none)	Flavanone	5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone
[Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none)	Flavanone	6,8-Di-C-methylpinocembrin 5-methyl ether
[Flavanone]-A(2OH, 1Formyl, 1Methyl)-B(none)	Flavanone	Lawinal
[Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavone	8-Demethylsideroxylin
[Flavone]-A(2OH, 2Methyl)-B(1OH)	Flavone	Syzalterin
[Flavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Flavone	Kanzakiflavone 2
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(none)	Flavonol	Galangin 3,7-dimethyl ether
[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(none)	Flavonol	5,7-Dihydroxy-3-methoxy-8-methylflavone
[Flavonol]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavonol	3,5-Dihydroxy-7-methoxy-8-methylflavone
[Flavonol]-A(2OH, 2Methyl)-B(none)	Flavonol	6,8-Dimethylgalangin
[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavone	Peltogynin
[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavone	Mopanin
[3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OMe)	3-DehydroxyAnthocyanidin	Carajurin
[Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	Isoflavone	2-Hydroxypseudobaptigenin
[Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	Isoflavone	Glyzaglabrin
[Isoflavone]-A(2OH)-B(1([@@]-Methylenedioxy))	Isoflavone	5-Hydroxypseudobaptigenin
[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Irisone B
[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Irilone
[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone]-A(1OH)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone	Bowdichione
[Pterocarpan]-A(1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	Pterocarpin
[3-Phenylcoumarin]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin
[4-phenylcoumarin]-A(1OH, 2OMe)-B(none)	4-phenylcoumarin	Kuhlmannin
[4-phenylcoumarin]-A(2OMe)-B(1OH)	4-phenylcoumarin	4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin
[4-phenylcoumarin]-A(1OH, 1OMe)-B(1OMe)	4-phenylcoumarin	5-Hydroxy-7,4'-dimethoxy-4-phenylcoumarin
[CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(2OH)	CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin	4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin

Level: 3, プリカーサーm/z: 219.10446

Splash: splash10-0udi-0190000000-8d5c55d35c82436c4c73

m/z	Int.	NL	Rel.Int.
202.03	11307	17	1000
116.00	2278	103	201