ピーク情報

細ネギ（若香）地上部

pos

Peak #2344 MN MID: SE201_S11_M90

m/z: 313.12163, RT: 26.10, 強度: 762, ログ強度: -0.51, 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: (7 names) (2S)-2-Amino-3-[4-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyphenyl]propanoic acid;Methionyl-Tyrosine;PS-6;Antibiotic PS 6;Penicillin F;Tyrosyl-Methionine;Norclozapine

DBごとのヒット数: ALL 6 KG 2 HM 4

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
C14H20O4N2S	312.11438	-0.076	(2S)-2-Amino-3-[4-[(2S)-2-amino-4-methylsulfanylbutanoyl]oxyphenyl]propanoic acid	HMDB: HMDB0257727
C14H20O4N2S	312.11438	-0.076	Methionyl-Tyrosine	HMDB: HMDB0028985
C14H20O4N2S	312.11438	-0.076	PS-6	KEGG: C17371 KNApSAcK: C00018303
C14H20O4N2S	312.11438	-0.076	Penicillin F	HMDB: HMDB0256230 KEGG: C17402
C14H20O4N2S	312.11438	-0.076	Tyrosyl-Methionine	HMDB: HMDB0029111
C17H17N4Cl	312.11417	0.576	Norclozapine	HMDB: HMDB0060536

MSnスペクトル情報

Level: 2, プリカーサーm/z: 313.12149

Splash: splash10-004i-0900000000-5a4b57bfaeaeca0b9210

m/z	Int.	NL	Rel.Int.
175.98	1978	137	1000
138.00	657	175	331
121.05	327	192	165

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OMe)-B(2OMe)	Flavone	7,3',4'-Trimethoxyflavone
[Flavone]-A(1OMe)-B(2OMe)	Flavone	7,2',4'-Trimethoxyflavone
[Flavone]-A(2OMe)-B(1OMe)	Flavone	5,6,2'-Trimethoxyflavone
[Flavone]-A(1OMe)-B(2OMe)	Flavone	6,2',3'-Trimethoxyflavone
[Flavone]-A(2OMe)-B(1OMe)	Flavone	5,6,3'-Trimethoxyflavone
[Flavone]-A(none)-B(3OMe)	Flavone	3',4',5'-Trimethoxyflavone
[Flavone]-A(2OMe)-B(1OMe)	Flavone	5,7,2'-Trimethoxyflavone
[Flavone]-A(2OMe)-B(1OMe)	Flavone	Apigenin 5,7,4'-trimethyl ether
[Flavone]-A(3OMe)-B(none)	Flavone	Baicalein 5,6,7-trimethyl ether
[Flavone]-A(3OMe)-B(none)	Flavone	Norwogonin 5,7,8-trimethyl ether
[Isoflavone]-A(1OMe)-B(2OMe)	Isoflavone	Cabreuvin
[Coumestan]-A(1OH)-B(2OMe)	Coumestan	3-Hydroxy-8,9-dimethoxycoumestan
[Coumestan]-A(1OH)-B(2OMe)	Coumestan	Wairol
[Chalcone]-A(none)-B(2OH, 1OMe, 1Formyl, 1Methyl)	Chalcone	3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone
[Chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Chalcone	3,4-Methylenedioxy-2',4'-dimethoxychalcone
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none)	2'-Hydroxychalcone	Leridal chalcone
[Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(none)	Chalcone	Helilandin A
[beta-Hydroxy(or Oxodihydro)chalcone]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Galiposin
[UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone]-A(1OMe, 3Methyl)-B(none)	UBR-type derivative / 2',6'-Dioxo-3'-enyl-0-hydroxy-type Chalcone	Desmosdumotin C
[Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none)	Flavanone	Leridal
[Flavanone]-A(1OH, 1OMe, 1Formyl, 1Methyl)-B(none)	Flavanone	Desmosflavanone II
[Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavone	Prosogerin A
[Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavone	6-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavone	5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone
[Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe)	Flavone	8-Demethyleucalyptin
[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavone	Sideroxylin
[Flavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavone	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
[Flavonol (3-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy))	Flavonol	3-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
[Flavonol (3-OMe)]-A(2OMe)-B(none)	Flavonol	Galangin 3,5,7-trimethyl ether
[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(none)	Flavonol	5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone
[Flavonol]-A(1OH, 1OMe, 2Methyl)-B(none)	Flavonol	3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone
[Isoflavone]-A(1OH)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Cuneatin
[Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Fujikinetin
[Isoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Maximaisoflavone E
[Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(1OMe)	Isoflavone	7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Betavulgarin
[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Irisone A
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Irisolone
[UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OMe)-B(1OMe)	UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene	4-Deoxybryaquinone
[Pterocarpene]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpene	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
[Pterocarpene]-A(1OMe)-B(2OMe)	Pterocarpene	Bryacarpene 5
[6-Hydroxydehydrorotenone]-A(2OH, 1Methyl)-B(none)	6-Hydroxydehydrorotenone	Boeravinone B
[4-phenylcoumarin]-A(2OMe)-B(1OMe)	4-phenylcoumarin	5,7,4'-Trimethoxy-4-phenylcoumarin
[CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(1OH, 1OMe)	CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin	5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin