ピーク情報

こむぎ［パン類］食パン

pos

Peak #1252 MN MID: SE112_S010261_M90

m/z: 455.18808, RT: 12.71, 強度: 39498, ログ強度: 1.21, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 9

DB検索結果: (2 names) 2-Nitro-alpha-((1-propenyloxy)methyl)imidazole-1-ethanol;Deoxycytidine

DBごとのヒット数: ALL 2 KG 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
C9H13O4N3	227.09061	-0.905	2-Nitro-alpha-((1-propenyloxy)methyl)imidazole-1-ethanol	HMDB: HMDB0257268
C9H13O4N3	227.09061	-0.905	Deoxycytidine	HMDB: HMDB0000014, HMDB0250725 KEGG: C00881, C21554

MSnスペクトル情報

Level: 2, プリカーサーm/z: 455.18802

Splash: splash10-004i-0091000000-444fadfe51b725f817a6

m/z	Int.	NL	Rel.Int.
227.91	15039	227	1000
338.98	1938	116	128
343.99	1389	111	92

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	Flavone	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methyl-3-hexenyl))-B(1OH, 1OMe)	Flavanone	Leachianone D
[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH)	3-substituted Flavone	5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
[Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH, 1OMe)	Dihydroflavonol	Diplacol 4'-methylether
[Dihydroflavonol]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol I

Level: 3, プリカーサーm/z: 227.90720

Splash: splash10-03di-0900000000-8197e48fdc163657dbc3

m/z	Int.	NL	Rel.Int.
111.91	1065	116	1000

Level: 3, プリカーサーm/z: 338.97525

Splash: splash10-004i-0090000000-e92a9921eb7f3d59376f

m/z	Int.	NL	Rel.Int.
227.90	456	111	1000
111.85	50	227	109

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol]-A(2OH, 1(C-Prenyl))-B(none)	Flavonol	3,5,7-Trihydroxy-8-prenylflavone
[Flavonol]-A(2OH, 1(C-Prenyl))-B(none)	Flavonol	3,5,7-Trihydroxy-6-prenylflavone
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavone	Wighteone
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavone	Lupiwighteone
[Isoflavone]-A(2OH)-B(1OH, 1(C-Prenyl))	Isoflavone	Isowighteone
[Flavone]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavone	Yinyanghuo D
[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavone	5,7,4'-Trihydroxy-6-prenylflavone
[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavone	Licoflavone C
[Chalcone]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Chalcone	Licochalcone C
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Citflavanone
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Paratocarpin K
[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	5-Methoxy-7-hydroxy-8-C-prenylflavanone
[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Tephrinone
[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	5-Hydroxy-7-methoxy-6-C-prenylflavanone
[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	4'-Hydroxyisoderricin
[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachinin
[2'-Hydroxychalcone]-A(3OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Mallotus A
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4-Hydroxyderricin
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Bavachalcone
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isoxanthohumol(Helichrysum)
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2'-Hydroxychalcone	3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone
[Pterocarpan]-A(1OH)-B(1OMe, 1(C-Prenyl))	Pterocarpan	Sandwicensin
[Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Auronol	Castillene D
[Chalcone]-A(1OH)-B(1OH, 1OMe, 1(1,1-Dimethylallyl))	Chalcone	Licochalcone A
[Chalcone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Chalcone	5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone
[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Ovalitenone
[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin B
[Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Dihydrochalcone	Crotaramin
[Flavanone]-A(1OMe, 1(2-Hydroxy-1,1-dimethylallyl))-B(none)	Flavanone	Falciformin
[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none)	Flavanone	6-C-Prenyl-8-C-methylpinocembrin
[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none)	Flavanone	5,7-Dihydroxy-6-methyl-8-prenylflavanone
[Flavanone]-A(2OH, 1(4-Oxoprenyl))-B(none)	Flavanone	5,7-Dihydroxy-8-C-(4-oxoprenyl)flavanone
[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(none)	Flavonol	8-(1,1-Dimethylallyl)galangin
[Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flavan 4-ol	Hildgardtol A
[Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavan 4-ol	Hildgardtol B
[Flavan]-A(2OMe, 1(C-Prenyl))-B(none)	Flavan	5,7-Dimethoxy-8-prenylflavan
[CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin	5-Carboxypyranopelargonidin
[Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Psoralenol
[Isoflavone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Isoflavone	6-(1,1-Dimethylallyl)genistein
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Isoflavone	Crotalarin
[Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavanone	Neotenone
[Isoflavan]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	2'-O-Methylphaseollinisoflavan
[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavan	4'-O-Methylglabridin
[Pterocarpan]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan	Ficinin
[Pterocarpan]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Pterocarpan	Apiocarpin
[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin III
[Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin I
[Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin II
[Pterocarpan-6a-ol]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan-6a-ol	Tuberosin
[2-Phenylbenzofuran]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2-Phenylbenzofuran	Neoraufurane