ピーク情報

わらび生わらび生

pos

Peak #7870 MN MID: SE116_S063241_M90

m/z: 449.26863, RT: 92.42, 強度: 6582, ログ強度: 0.32, 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: (4 names) Pawhuskin A;Hyperibone L;Algesterone acetophenide;Mappain

DBごとのヒット数: ALL 4 KG 1 KN 3

FlavonoidSearch最大スコア MS2: 0.143, 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
C29H36O4	448.26136	-0.014	Pawhuskin A	KNApSAcK: C00039935
C29H36O4	448.26136	-0.014	Hyperibone L	KNApSAcK: C00043589
C29H36O4	448.26136	-0.014	16alpha,17alpha-Dihydroxyprogesterone acetophenide	HMDB: HMDB0248135 KEGG: C14674
C29H36O4	448.26136	-0.014	Mappain	KNApSAcK: C00046126

MSnスペクトル情報

Level: 2, プリカーサーm/z: 449.26776

Splash: splash10-0f89-0040900000-338948f1a24370e1c550

m/z	Int.	NL	Rel.Int.
431.27	7904	18	1000
201.16	4196	248	530

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Isoorientin
0.143	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Orientin
0.143	[Flavonol]-A(1OH, 1(C-Glu))-B(2OH)	Flavonol	Fisetin 8-C-glucoside
0.143	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	6-C-Glucopyranosylkaempferol
0.143	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	8-C-beta-D-Glucopyranosylkaempferol
0.143	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	6-C-Glucosylorobol
0.143	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	8-C-Glucosylorobol
0.143	[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: 431.26602

Splash: splash10-0udi-0090000000-87a9c64675818e9cc809

m/z	Int.	NL	Rel.Int.
201.06	4902	230	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none)	Flavone	Kaplanin
[Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe)	Isoflavone	Puerarin 4'-methyl ether
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe)	Flavone	Isomollupentin 7,4'-dimethyl ether
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe)	Flavone	7,4'-Di-O-Methylisomollupentin
[Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH)	Flavone	8-C-Rhamnosylgenkwanin
[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH)	Flavone	Derhamnosylmaysin
[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
[Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe)	Flavone	Alternanthin
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl))	Flavonol	Aliarin 4'-methyl ether
[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
[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
[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)

Level: 3, プリカーサーm/z: 201.16077

Splash: splash10-0089-0900000000-b7d80b420c302a50f526

m/z	Int.	NL	Rel.Int.
183.12	693	18	1000
173.10	455	28	657
168.06	257	33	370
159.02	161	42	232
145.10	103	56	148
155.01	103	46	148
172.37	93	29	134
157.05	77	44	111
130.90	55	70	78
171.08	54	30	77
158.15	42	43	60
186.05	37	15	53