ピーク情報

えだまめ生

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Peak #2651 MN MID: SE118_S060151_M90

m/z: 695.18258, RT: 37.92, 強度: 4538, ログ強度: 0.25, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8

DB検索結果: (4 names) Quercetin 3-(3'',4''-diacetylrhamnosyl)-(1->6)-glucoside;Cyanidin 3,5-di-(6-acetylglucoside);Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside);Pelargonidin 3-(6''-succinylglucoside)-5-...

DBごとのヒット数: ALL 4 KN 4

FlavonoidSearch最大スコア MS2: -, MS3: 0.263

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
C31H34O18	694.17451	1.136	Quercetin 3-(3'',4''-diacetylrhamnosyl)-(1->6)-glucoside	FlavonoidViewer: FL5FACGS0110 KNApSAcK: C00013882 LipidMAPS: LMPK12112263
C31H34O18	694.17451	1.136	Cyanidin 3,5-di-(6-acetylglucoside)	FlavonoidViewer: [1]FL7AACGL0045 KNApSAcK: [1]C00006816 LipidMAPS: [1]LMPK12010154
C31H34O18	694.17451	1.136	Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside)	FlavonoidViewer: FL3FFAGS0006 KNApSAcK: C00004250 LipidMAPS: LMPK12111345
C31H34O18	694.17451	1.136	Pelargonidin 3-(6''-succinylglucoside)-5-glucoside	FlavonoidViewer: [1]FL7AAAGL0026 KNApSAcK: [1]C00006765 LipidMAPS: [1]LMPK12010040

MSnスペクトル情報

Level: 2, プリカーサーm/z: 695.18243

Splash: splash10-0002-0020900000-9bc7a63f884d6ff72dfe

m/z	Int.	NL	Rel.Int.
447.22	16776	248	1000
285.12	5411	410	322

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavanone]-A(2OH, 1((1S)-3-(4-methyl-3-pentenyl)-5beta-(2,4-dihydroxyphenyl)-6alpha-(2,4-dihydroxybenzoyl)-2-cyclohexene-1beta-yl))-B(2OH)	Flavanone	Sanggenon G

Level: 3, プリカーサーm/z: 447.21655

Splash: splash10-000i-0090000000-bcb08a9c011d0d743637

m/z	Int.	NL	Rel.Int.
285.16	16211	162	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 1(C-Glu))-B(1OMe)	Flavone	Cytisoside
[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavone	Isoswertisin
[Flavone]-A(2OH, 1(C-Glu))-B(1OMe)	Flavone	Isocytisoside
[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavone	Swertisin
[Isoflavone]-A(1OH, 1(C-Glu))-B(1OH, 1OMe)	Isoflavone	Pueraria glycoside 3
[Isoflavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Isoflavone	Prunetin 8-C-glucoside
[Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-(2-Hydroxy-5-methoxycarbonylphenyl)furano)))-B(none)	Dihydrochalcone	Longicaudatin
[Flavone]-A(2OH, 1(C-Fucosyl))-B(1OH, 1OMe)	Flavone	6-C-fucosyl-3'-methoxyluteoiin
[CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (4'-Hydroxy)]-A(1OH)-B(1OH, 2OMe)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin	Malvidin 4-vinylphenol

Level: 3, プリカーサーm/z: 285.11749

Splash: splash10-00di-0190000000-33dda36f54942d1079d3

m/z	Int.	NL	Rel.Int.
270.16	811	15	1000
229.18	200	56	246
225.10	130	60	160
145.06	129	140	158
285.19	114	-0	140
257.09	81	28	99
167.00	70	118	86
267.20	50	18	61

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.263	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Texasin
0.263	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Retusin(Dalbergia)
0.263	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Biochanin A
0.263	[Isoflavone]-A(2OH, 1OMe)-B(none)	Isoflavone	5,7-Dihydroxy-6-methoxyisoflavone
0.263	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	7,2'-Dihydroxy-6-methoxyisoflavone
0.263	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Glycitein
0.263	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Kakkatin
0.263	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	5-O-Methylgenistein
0.263	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Prunetin
0.263	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	3'-Methoxydaidzein
0.263	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Calycosin
0.263	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Xenognosin B
0.263	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Teralin
0.235	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Zuccagin
0.235	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Galangin 5-methyl ether
0.235	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Izalpinin
0.222	[Coumestan]-A(1OH)-B(2OH)	Coumestan	7,10,12-Trihydroxycoumestan
0.222	[Coumestan]-A(2OH)-B(1OH)	Coumestan	Lucernol
0.222	[Coumestan]-A(2OH)-B(1OH)	Coumestan	Aureol
0.200	[Chalcone]-A(1OMe)-B(1OH, 1OMe)	Chalcone	Glypallichalcone
0.167	[Flavonol]-A(1OMe)-B(1OH)	Flavonol	5-Deoxyrhamnocitrin
0.143	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(none)	2'-Hydroxychalcone	Flavokawin B
0.143	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4,4'-dimethyl ether
0.125	[Flavanone]-A(2OMe)-B(none)	Flavanone	7,8-Dimethoxyflavanone
0.125	[Flavanone]-A(2OMe)-B(none)	Flavanone	Pinocembrin 5,7-dimethyl ether
0.111	[Flavone]-A(1OH)-B(1OH, 1OMe)	Flavone	Geraldone
0.111	[Flavone]-A(1OH)-B(1OH, 1OMe)	Flavone	Farnisin
0.111	[Flavone]-A(1OH, 1OMe)-B(1OH)	Flavone	7,2'-Dihydroxy-5-methoxyflavone
0.111	[Flavone]-A(1OH, 1OMe)-B(1OH)	Flavone	Echioidinin
0.111	[Flavone]-A(2OH)-B(1OMe)	Flavone	Acacetin
0.111	[Flavone]-A(1OH, 1OMe)-B(1OH)	Flavone	Thevetiaflavone
0.111	[Flavone]-A(1OH, 1OMe)-B(1OH)	Flavone	Genkwanin
0.111	[Flavone]-A(2OH, 1OMe)-B(none)	Flavone	Baicalein 5-methyl ether
0.111	[Flavone]-A(2OH, 1OMe)-B(none)	Flavone	Oroxylin A
0.111	[Flavone]-A(2OH, 1OMe)-B(none)	Flavone	Negletein
0.111	[Flavone]-A(2OH, 1OMe)-B(none)	Flavone	5,8-Dihydroxy-7-methoxyflavone
0.111	[Flavone]-A(2OH, 1OMe)-B(none)	Flavone	Wogonin
0.083	[Pterocarpan]-A(1OMe)-B(1OMe)	Pterocarpan	Baphinitone
0.000	[Aurone]-A(2OH, 1Methyl)-B(1OH)	Aurone	4,6,4'-Trihydroxy-7-methylaurone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	2'-Hydroxychalcone	Aurentiacin A
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	2'-Hydroxychalcone	Triangularin
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	2'-Hydroxychalcone	Stercurensin
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavanone	Comptonin
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavanone	7-O-Methylstrobopinin
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavanone	5-Hydroxy-7-methoxy-8-C-methylflavanone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(none)	Flavanone	5,7-Dihydroxy-6,8-dimethylflavanone
0.000	[Flavone]-A(2OH, 1Methyl)-B(1OH)	Flavone	6-Methylapigenin
0.000	[3-substituted Flavone (3-Methyl)]-A(2OH)-B(1OH)	3-substituted Flavone	3-C-Methylapigenin
0.000	[Flavone]-A(2OH)-B(1OH, 1Methyl)	Flavone	5,7,4'-Trihydroxy-3'-C-methylflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(none)	Flavonol	Galangin 3-methyl ether
0.000	[Flavonol]-A(2OH, 1Methyl)-B(none)	Flavonol	8-C-Methylgalangin
0.000	[CCS-type derivative / [3,2']-Epoxy-3-Dehydroxyanthocyanidin]-A(2OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxy-3-Dehydroxyanthocyanidin	Riccionidin A
0.000	[3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OH)	3-DehydroxyAnthocyanidin	Carajuron
0.000	[Pterocarpan]-A(1OH)-B(1([@@]-Methylenedioxy))	Pterocarpan	Maackiain
0.000	[Coumaranochromon]-A(2OH)-B(1OH)	Coumaranochromon	Lupinalbin A
0.000	[3-Phenylcoumarin]-A(1OH)-B(1OH, 1OMe)	3-Phenylcoumarin	7,2'-Dihydroxy-4'-methoxy-3-phenylcoumarin
0.000	[2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(1OH, 1OMe)	2-Phenylbenzofuran	2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran
0.000	[4-phenylcoumarin]-A(1OH)-B(1OH, 1OMe)	4-phenylcoumarin	7,3'-Dihydroxy-4'-methoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH)	4-phenylcoumarin	Stevenin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH)	4-phenylcoumarin	Melannin
0.000	[4-phenylcoumarin]-A(2OH)-B(1OMe)	4-phenylcoumarin	5,7-Dihydroxy-4'-methoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH)	4-phenylcoumarin	5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin
0.000	[CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OH)-B(2OH)	CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin	7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin
0.000	[Dalbergiquinol]-A(3OMe)-B(none)	Dalbergiquinol	2,4,5-Trimethoxydalbergiquinol
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(2OMe)-B(none)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	3,4-Dimethoxydalbergione
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OMe)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	4,4'-Dimethoxydalbergione
0.000	[Neoflavene]-A(1OH, 2OMe)-B(none)	Neoflavene	Kuhlmannene