ピーク情報

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pos

Peak #5954 MN MID: SE199_S41_M90

m/z: 403.10255, RT: 61.04, 強度: 33682, ログ強度: 0.94, 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: (20 names) 1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone;Mollupentin;Apigenin-8-C-alpha-L-arabinopyranoside;8-alpha-L-Arabinopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Gossypetin 3,7...

DBごとのヒット数: ALL 16 KG 3 KN 11 HM 2

FlavonoidSearch最大スコア MS2: 0.111, MS3: -

DB検索結果

ppm

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
C20H18O9	402.09508	0.481	Mollupentin	FlavonoidViewer: FL3FAACS0004 KNApSAcK: C00006080 LipidMAPS: LMPK12110197
C20H18O9	402.09508	0.481	1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone	KEGG: C04719 LipidMAPS: LMFA13010061
C20H18O9	402.09508	0.481	Gossypetin 3,7,3'-trimethyl ether 8-acetate	FlavonoidViewer: FL5FFCNS0029 KNApSAcK: C00004941 LipidMAPS: LMPK12113259
C20H18O9	402.09508	0.481	beta-Isorhodomycinone	KNApSAcK: C00016343
C20H18O9	402.09508	0.481	5-Hydroxy-3,3',7,8-tetramethoxy-4',5'-methylenedioxyflavone	HMDB: HMDB0041257
C20H18O9	402.09508	0.481	Variecolorquinone A	KNApSAcK: C00048900
C20H18O9	402.09508	0.481	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone	FlavonoidViewer: FL3FGGNS0010 KNApSAcK: C00004009 LipidMAPS: LMPK12111496
C20H18O9	402.09508	0.481	5-Hydroxy-3,6,7,8-tetramethoxy-3',4'-methylenedioxyflavone	FlavonoidViewer: FL5FGCNS0023 KNApSAcK: C00005065 LipidMAPS: LMPK12113349
C20H18O9	402.09508	0.481	Pelargonidin 3-arabinoside	FlavonoidViewer: [1]FL7AAAGO0001, [1]FL7AAAGO0002 KNApSAcK: [1]C00006627, [1]C00006628 LipidMAPS: [1]LMPK12010089, [1]LMPK12010090
C20H18O9	402.09508	0.481	Frangulin B	KEGG: C10349 KNApSAcK: C00002825
C20H18O9	402.09508	0.481	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one	FlavonoidViewer: FL5FGCNS0029 KNApSAcK: C00013515 LipidMAPS: LMPK12113355
C20H18O9	402.09508	0.481	Apigenin 7-xyloside	FlavonoidViewer: FL3FAAGS0006 HMDB: HMDB0303810 KNApSAcK: C00004141 LipidMAPS: LMPK12110341
C20H18O9	402.09508	0.481	Pelargonidin 3-arabinoside	HMDB: [1]HMDB0301663
C20H18O9	402.09508	0.481	Cerarvensin	FlavonoidViewer: FL3FAACS0002, FL3FAACS0003 KNApSAcK: C00006078, C00006079 LipidMAPS: LMPK12110195, LMPK12110196
C20H18O9	402.09508	0.481	5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone 2'-acetate	FlavonoidViewer: FL5FF9NM0006 KNApSAcK: C00004936 LipidMAPS: LMPK12113087
C20H18O9	402.09508	0.481	Versiconol acetate	KEGG: C20506

MSnスペクトル情報

Level: 2, プリカーサーm/z: 403.10233

Splash: splash10-001i-0019000000-04681de86366c48945b3

m/z	Int.	NL	Rel.Int.
330.08	87105	73	1000
312.06	30344	91	348
284.10	17680	119	202
373.15	16343	30	187

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Flavone]-A(2OMe)-B(4OMe)	Flavone	5,6,2',3',5',6'-Hexamethoxyflavone
0.111	[Flavone]-A(3OMe)-B(3OMe)	Flavone	5,6,8,3',4',5'-Hexamethoxyflavone
0.111	[Flavone]-A(2OMe)-B(4OMe)	Flavone	5,6,2',3',4',6'-Hexamethoxyflavone
0.111	[Flavone]-A(3OMe)-B(3OMe)	Flavone	5,6,7,3',4',5'-Hexamethoxyflavone
0.111	[Flavone]-A(3OMe)-B(3OMe)	Flavone	Bannamurpanisin
0.111	[Flavone]-A(4OMe)-B(2OMe)	Flavone	Nobiletin
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone B
0.000	[Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(2OH)	Dihydroflavonol	Paraibanol
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH)	2'-Hydroxychalcone	8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
0.000	[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(2OMe)	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone K
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none)	Flavanone	Calomelanol I
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH)	Flavanone	Calomelanol H
0.000	[Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH)	Flavone	Cerarvensin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH)	Flavone	Isomollupentin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH)	Flavone	Mollupentin
0.000	[Flavone]-A(1OH, 3OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
0.000	[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Cinnamoyl))	Dihydroflavonol	Pinobanksin 3-O-cinnamate
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(3OMe)	Flavonol	Myricetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(3OMe)	Flavonol	3,5,7,2',4',5'-Hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(2OMe)	Flavonol	Quercetagetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(2OMe)	Flavonol	Gossypetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(1OMe)	Flavonol	3,5,6,7,8,4'-Hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	5-Demethylmelibentin
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(2OMe, 1(3-hydroxy-3-methylbutyl))	Pterocarpan-6a-ol	Sphenostylin D
0.000	[4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	4-phenylcoumarin	Inophyllum E
0.000	[4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	4-phenylcoumarin	Tomentolide A

Level: 3, プリカーサーm/z: 330.05307

Splash: splash10-03e9-0049000000-3870bb80d6c6b790c9f6

m/z	Int.	NL	Rel.Int.
312.06	53585	18	1000
284.10	27105	46	505

Level: 3, プリカーサーm/z: 312.07794

Splash: splash10-001i-0090000000-bf35b38d379dd660803b