ピーク情報

こむぎ［その他］ちくわぶ

pos

Peak #5706 MN MID: SE118_S010691_M90

m/z: 385.34252, RT: 60.11, 強度: 3902, ログ強度: 0.21, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: N-Palmitoyl Lysine

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: 0.125, 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
C22H44O3N2	384.33519	0.144	N-Palmitoyl Lysine	HMDB: HMDB0241929

MSnスペクトル情報

Level: 2, プリカーサーm/z: 385.34177

Splash: splash10-014i-0009000000-58c9bf7b63389abd2b92

m/z	Int.	NL	Rel.Int.
367.38	6770	18	1000

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Dihydroflavonol	Eriotrinol
0.125	[Dihydroflavonol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Dihydroflavonol	3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
0.067	[Flavanone]-A(2OH)-B(2OMe, 1(C-Prenyl))	Flavanone	5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone
0.045	[Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Piscerythrone
0.045	[Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Piscidone
0.000	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Gancaonin P 3'-methyl ether
0.000	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	8-Prenylquercetin 4'-methyl ether
0.000	[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Oxyisocyclointegrin
0.000	[Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavonol	Uralene
0.000	[Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavonol	5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavonol	5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(4,6,6-Dimethyldihydropyrano)))-B(2OH)	Flavonol	4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone
0.000	[Isoflavone]-A(2OH, Hydroxyprenyl)-B(1OH, 1OMe)	Isoflavone	Gancaonin D
0.000	[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(1,1-Dimethylallyl))	Isoflavanone	Echinoisosophoranone
0.000	[Isoflavanone-3-ol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone-3-ol	Sophoronol
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl))	Coumestan	Mirificoumestan hydrate
0.000	[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6-Hydroxymethyl-6-methyldihydropyrano)))-B(2OH)	3-Phenylcoumarin	Licopyranocoumarin

Level: 3, プリカーサーm/z: 367.37595

Splash: splash10-0udi-0009000000-508451b08184cf3e2c03

m/z	Int.	NL	Rel.Int.
350.40	4395	17	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Barpisoflavone C
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavone	3'-Hydroxyalpinumisoflavone 4'-methyl ether
[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavonol	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether
[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Coumestan	Mirificoumestan
[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	Puerarostan
[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	3,9-Dihydroxy-1-methoxy-8-prenylcoumestan
[Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Coumestan	Glycyrol
[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	Racemoflavone
[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavanone	Ponganone III
[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	Glyflavanone A
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	Glychalcone A
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	3,4-Dimethoxylonchocarpin
[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Pterocarpan	Edulenane
[2'-Hydroxychalcone]-A(2OH, 1(3-methyl-6-oxo-2-hexenyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol C
[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Praecansone B
[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Flavanone	O-Methylovaliflavanone C
[Flavone]-A(2OMe, 1(cis-3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	cis-Tephrostachin
[Flavone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	trans-Tephrostachin
[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(2OH)	Flavone	Desmodol
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3'-Methoxypongapin
[Flavonol]-A(2OH, 1Sulfate)-B(1OH)	Flavonol	Kaempferol 8-C-sulfate
[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3-methyl ether
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Derrubone
[Pterocarpan]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautenanol
[Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Coumestan	Isoglycyrol
[Rotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Rotenone	Pachyrrhizone
[12a-Hydroxyrotenone (12a-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Methoxydolineone
[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	Neofolin