ピーク情報

ミヤコグサ

pos

Peak #3891 MN MID: SE205_S07_M90

m/z: 453.17582, RT: 46.56, 強度: 11453, ログ強度: 0.56, 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: (13 names) Cichorioside J;[1aR-(1aR*,5R*,7S*,10aS*,10bR*)]-5-(Acetyloxy)-8-[(acetyloxy)methyl]-2,3,6,7,10a,10b-hexahydro-1a,5-dimethyl-7-(1-oxopropoxy)-oxireno[9,10]cyclodeca[1,2-b]furan-4,9(1aH,5H)-dione;[4R-(4...

DBごとのヒット数: ALL 9 KN 8 HM 1

FlavonoidSearch最大スコア MS2: 0.056, 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
C22H28O10	452.16825	0.656	Cichorioside J	HMDB: HMDB0302056
C22H28O10	452.16825	0.656	Davisioside	KNApSAcK: C00032890
C22H28O10	452.16825	0.656	[1aR-(1aR,5R,7S,10aS,10bR*)]-5-(Acetyloxy)-8-[(acetyloxy)methyl]-2,3,6,7,10a,10b-hexahydro-1a,5-dimethyl-7-(1-oxopropoxy)-oxireno[9,10]cyclodeca[1,2-b]furan-4,9(1aH,5H)-dione	KNApSAcK: C00012130
C22H28O10	452.16825	0.656	[4R-(4R,S,7R,10S)]- 4,6-bis(Acetyloxy)-3-[(acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-7-methoxy-6,10-dimethyl-7,10-epoxycyclodeca[b]furan-2(4H)-one	KNApSAcK: C00012133
C22H28O10	452.16825	0.656	Eupalinilide J	KNApSAcK: C00023187
C22H28O10	452.16825	0.656	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside	KNApSAcK: C00015537
C22H28O10	452.16825	0.656	Glochidacuminoside B	KNApSAcK: C00031818
C22H28O10	452.16825	0.656	Ovatolactone 7-O-(6'-O-p-hydroxybenzoyl)-beta-D-glucopyranoside	KNApSAcK: C00033280
C22H28O10	452.16825	0.656	Melcanthin C	KNApSAcK: C00012237

MSnスペクトル情報

Level: 2, プリカーサーm/z: 453.17566

Splash: splash10-0006-0090000000-0572b5b90ec2c2bbe00f

m/z	Int.	NL	Rel.Int.
291.07	20647	162	1000
435.30	1307	18	63
167.03	1175	286	56
273.05	1097	180	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.056	[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Amoradinin
0.000	[Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Dorsmanin D
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4-hydroxy-5-methoxypyrano)))-B(1OH)	2'-Hydroxychalcone	Derrichalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	2'-Hydroxychalcone	Kushenol D
0.000	[Dihydrochalcone]-A(2OH, 1(2-Hydroxybenzyl), 1([2,3:@@]-(4-hydrochromeno)))-B(none)	Dihydrochalcone	Chamuvaritin
0.000	[Dihydrochalcone]-A(3OH, 1(C-Glu))-B(2OH)	Dihydrochalcone	Aspalathin
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(2OH)	Dihydrochalcone alpha-ol	Coatline B
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methoxy-4,4-dimethyl-2-oxetanylmethyl))-B(1OH)	Flavanone	Derriflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	2'-Methoxykurarinone
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(2OH)	Flavanone	3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4,5-diacetoxypyrano)))-B(none)	Flavone	9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavone	Epimedokoreanin A
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	3-substituted Flavone	Heteroartonin A
0.000	[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Artonin S
0.000	[Flavonol (3-OMe)]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavonol	Broussoflavonol B
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	6-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	8-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavan 3-ol	Catechin 8-C-beta-D-galactoside
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ib
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ic
0.000	[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Coumaroyl))	Flavan 3-ol	Gallocatechin 3-O-p-coumarate