ピーク情報

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Peak #7467 MN MID: SE113_S050182_M90

m/z: 467.37353, RT: 97.37, 強度: 9382, ログ強度: 0.63, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (2 names) Certonardosterol D5;6-Dihydrocastasterone

DBごとのヒット数: ALL 2 KG 1 KN 1

FlavonoidSearch最大スコア MS2: 0.037, MS3: 0.333

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
C28H50O5	466.36582	0.911	Certonardosterol D5	KNApSAcK: C00043375
C28H50O5	466.36582	0.911	6alpha-Hydroxycastasterone	HMDB: HMDB0304235 KEGG: C15803 KNApSAcK: C00007522 LipidMAPS: LMST01030128

MSnスペクトル情報

Level: 2, プリカーサーm/z: 467.37317

Splash: splash10-0002-0000900000-f816f4b92af9ffdb70ce

m/z	Int.	NL	Rel.Int.
449.32	3321	18	1000
431.29	674	36	203
413.43	240	54	72

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.037	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 2OMe, 1(C-Prenyl))	Isoflavone	Pumilaisoflavone C
0.000	[Flavanone]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxy-m-methoxyphenyl)-dihydro[1,4]dioxinyl)))	Flavanone	Silandrin
0.000	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(4-Hydroxymethyl-5-(p-hydroxy-m-methoxyphenyl)furano)))	Flavanone	Silyhermin
0.000	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(4-Hydroxymethyl-5-(p-hydroxy-m-methoxyphenyl)furano)))	Flavanone	Neosilyhermin A
0.000	[UBR-type derivative / 3'-Oxocyclohexa-6'-enyl-type Flavanone]-A(2OH)-B(1OH, 1(m-((4-Hydroxy-3-methoxyphenyl)-([5,4;n,o]-tetrahydrofuran-3-yl)-methyl)))	UBR-type derivative / 3'-Oxocyclohexa-6'-enyl-type Flavanone	Silymonin
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(4-(1,2-diacetoxy-2-methylpropyl)-dihydrofurano)))-B(none)	Flavone	Polystachin (flavone)
0.000	[Dihydroflavonol]-A(2OH, 1(C-Glu))-B(2OH)	Dihydroflavonol	6-C-Glucosyltaxifolin
0.000	[Isoflavone]-A(1OH, 1(C-Prenyl), 1(1(O-(2-Hydroxyethyl))-[2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Isoflavone	Eriotriochin

Level: 3, プリカーサーm/z: 449.32144

Splash: splash10-001i-0000900000-3c3dd9e6e2de73779659

m/z	Int.	NL	Rel.Int.
431.37	1132	18	1000
413.34	261	36	230

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.333	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Isoorientin
0.333	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Orientin
0.333	[Flavonol]-A(1OH, 1(C-Glu))-B(2OH)	Flavonol	Fisetin 8-C-glucoside
0.333	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	6-C-Glucopyranosylkaempferol
0.333	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	8-C-beta-D-Glucopyranosylkaempferol
0.333	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	6-C-Glucosylorobol
0.333	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	8-C-Glucosylorobol
0.333	[Anthocyanidin]-A(2OH, 1(C-Glu))-B(2OH)	Anthocyanidin	8-C-Glucosylcyanidin
0.083	[Chalcone]-A(4OMe)-B(4OMe)	Chalcone	2,3,4,5,2',3',4',6'-Octamethoxychalcone
0.000	[Flavone]-A(4OMe)-B(1OH, 3OMe)	Flavone	Agehoustin C
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavone	6-C-Galactosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavone	8-C-Galactosylluteolin
0.000	[Flavone]-A(3OH, 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Galactosylisoscutellarein
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloartomunin
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artomunoxanthone
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artonol E
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Cycloartomunoxanthone
0.000	[UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone	Artonin P
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(1OH, 2OMe)	Flavonol	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
0.000	[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Lonchocarpenin

Level: 3, プリカーサーm/z: 431.33237

Splash: splash10-03di-0002900000-a5641370be5b1e62ce50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none)	Flavone	Kaplanin
0.250	[Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe)	Isoflavone	Puerarin 4'-methyl ether
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe)	Flavone	Isomollupentin 7,4'-dimethyl ether
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe)	Flavone	7,4'-Di-O-Methylisomollupentin
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH)	Flavone	8-C-Rhamnosylgenkwanin
0.000	[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH)	Flavone	Derhamnosylmaysin
0.000	[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH)	Flavone	6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin
0.000	[Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe)	Flavone	Alternanthin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl))	Flavonol	Aliarin 4'-methyl ether
0.000	[Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl))	Flavonol	3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>))	Flavan 3-ol	Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate)

m/z	Int.	NL	Rel.Int.
413.38	765	18	1000
395.36	136	36	178
347.18	58	84	75
277.44	41	154	54