ピーク情報
ぶどう 生
pos
|
Peak #1831 MN MID: SE122_S071161_M90 |
m/z: 609.16007, RT: 45.11, 強度: 8609, ログ強度: 0.52, アダクト: [M+H]+, 共有数(同様のピークを含むサンプル数): 6 |
DB検索結果: (7 names) 3-Ferulylpelargonidin 5-glucoside;Luteolin 3'-methyl ether 7-(3''-E-p-coumarylglucoside);Hispidulin 7-(6''-E-p-Coumaroylglucoside);5-Hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo... |
DBごとのヒット数: ALL 6 KN 5 HM 1 |
FlavonoidSearch最大スコア MS2: -, MS3: 0.333 |
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 |
---|---|---|---|---|
C31H28O13 | 608.15299 | -0.320 | 3-Ferulylpelargonidin 5-glucoside | HMDB: [1]HMDB0038088 |
C31H28O13 | 608.15299 | -0.320 | Luteolin 3'-methyl ether 7-(3''-E-p-coumarylglucoside) | FlavonoidViewer: FL3FADGS0020, FL3FADGS0025 KNApSAcK: C00004354, C00013678 LipidMAPS: LMPK12110786, LMPK12110791 |
C31H28O13 | 608.15299 | -0.320 | Hispidulin 7-(6''-E-p-Coumaroylglucoside) | FlavonoidViewer: FL3FEAGS0050 KNApSAcK: C00013637 LipidMAPS: LMPK12111154 |
C31H28O13 | 608.15299 | -0.320 | Vitexin 2''-O-(E)-ferulate | FlavonoidViewer: FL3FAACS0035 KNApSAcK: C00006303 LipidMAPS: LMPK12110228 |
C31H28O13 | 608.15299 | -0.320 | Peonidin 3-(6''-p-coumarylglucoside) | FlavonoidViewer: [1]FL7AADGL0013 HMDB: [1]HMDB0301664 KNApSAcK: [1]C00006861 LipidMAPS: [1]LMPK12010244 |
C31H28O13 | 608.15299 | -0.320 | Malvidin 3-glucoside-4-vinylphenol | FlavonoidViewer: [1]FL7ARXGL0004 HMDB: [1]HMDB0031968 KNApSAcK: [1]C00011187 LipidMAPS: [1]LMPK12010435 |
C31H28O13 | 608.15299 | -0.320 | Nepetin-7-O-(6''-O-cinnamoyl)-beta-D-glucopyranoside | LipidMAPS: LMPK12113412 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 609.15894 |
Splash: splash10-0udi-0009000000-57b52930dfae5f931fcd |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
301.07 | 14167 | 308 | 1000 |
286.09 | 811 | 323 | 57 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.000 | [Flavone]-A(1OH, 1OMe, 2(C-Glu))-B(1OH) | Flavone | 6,8-Di-C-glucopyranosylgenkwanin |
0.000 | [Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(1OH) | Flavone | Vitexin 2''-O-(E)-ferulate |
0.000 | [Flavone]-A(2OH, 1(1(O-(E)-Feruloyl)-C-Glu))-B(1OH) | Flavone | Isovitexin 2''-O-(E)-ferulate |
0.000 | [3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OMe) | 3-substituted Flavone | 3,6-Di-C-glucopyranosylacacetin |
0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Glu), 1(C-Galactosyl))-B(1OH) | Flavone | 6-C-Glucopyranosyl-8-C-galactopyranosylgenkwanin |
Level: 3, プリカーサーm/z: 301.07489 |
Splash: splash10-000i-0090000000-0eec59840ca5ed3c4eec |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
286.08 | 6617 | 15 | 1000 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.333 | [Flavone]-A(1OH, 1OMe)-B(2OH) | Flavone | 7,3',4'-Trihydroxy-6-methoxyflavone |
0.333 | [Flavone]-A(2OH)-B(1OH, 1OMe) | Flavone | 5,7,2'-Trihydroxy-6'-methoxyflavone |
0.333 | [Flavone]-A(1OH, 1OMe)-B(2OH) | Flavone | 5,2',6'-Trihydroxy-7-methoxyflavone |
0.333 | [Flavone]-A(2OH)-B(1OH, 1OMe) | Flavone | Chrysoeriol |
0.333 | [Flavone]-A(2OH)-B(1OH, 1OMe) | Flavone | Diosmetin |
0.333 | [Flavone]-A(1OH, 1OMe)-B(2OH) | Flavone | Luteolin 5-methyl ether |
0.333 | [Flavone]-A(1OH, 1OMe)-B(2OH) | Flavone | Luteolin 7-methyl ether |
0.333 | [Flavone]-A(1OH, 1OMe)-B(2OH) | Flavone | Artocarpetin |
0.333 | [Flavone]-A(2OH, 1OMe)-B(1OH) | Flavone | 5,7,2'-Trihydroxy-6-methoxyflavone |
0.333 | [Flavone]-A(3OH)-B(1OMe) | Flavone | Scutellarein 4'-methyl ether |
0.333 | [Flavone]-A(2OH, 1OMe)-B(1OH) | Flavone | Hispidulin |
0.333 | [Flavone]-A(2OH, 1OMe)-B(1OH) | Flavone | Sorbifolin |
0.333 | [Flavone]-A(2OH, 1OMe)-B(1OH) | Flavone | 5,8,2'-Trihydroxy-7-methoxyflavone |
0.333 | [Flavone]-A(2OH, 1OMe)-B(1OH) | Flavone | Scutevulin |
0.333 | [Flavone]-A(3OH)-B(1OMe) | Flavone | Takakin |
0.333 | [Flavone]-A(2OH, 1OMe)-B(1OH) | Flavone | Isocutellarein 7-methyl ether |
0.333 | [Flavone]-A(2OH, 1OMe)-B(1OH) | Flavone | Isoscutellarein 8-methyl ether |
0.111 | [2'-Hydroxychalcone]-A(2OH, 2OMe)-B(none) | 2'-Hydroxychalcone | Pashanone |
0.111 | [2'-Hydroxychalcone]-A(2OH, 2OMe)-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-3',6'-dimethoxychalcone |
0.111 | [2'-Hydroxychalcone]-A(2OH, 2OMe)-B(none) | 2'-Hydroxychalcone | 2',3'-Dihydroxy-4',6'-dimethoxychalcone |
0.111 | [2'-Hydroxychalcone]-A(2OH)-B(2OMe) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-3,4-dimethoxychalcone |
0.111 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH) | 2'-Hydroxychalcone | Heliannone A |
0.111 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH) | 2'-Hydroxychalcone | Flavokawin C |
0.111 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OMe) | 2'-Hydroxychalcone | Kukulkanin A |
0.111 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OMe) | 2'-Hydroxychalcone | Gymnogrammene |
0.111 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OMe) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-4,6'-dimethoxychalcone |
0.091 | [Chalcone]-A(1OH, 2OMe)-B(1OH) | Chalcone | 4,4'-Dihydroxy-2',6'-dimethoxychalcone |
0.091 | [Chalcone]-A(1OMe)-B(2OH, 1OMe) | Chalcone | 2,4-Dihydroxy-6,4'-dimethoxychalcone |
0.091 | [Flavanone]-A(2OMe)-B(1OH) | Flavanone | Naringenin 5,7-dimethyl ether |
0.091 | [Flavanone]-A(1OH, 2OMe)-B(none) | Flavanone | 6-Hydroxy-5,7-dimethoxyflavanone |
0.091 | [Flavanone]-A(1OH, 2OMe)-B(none) | Flavanone | Onysilin |
0.091 | [Flavanone]-A(1OH, 2OMe)-B(none) | Flavanone | 8-Hydroxy-5,7-dimethoxyflavanone |
0.091 | [Flavanone]-A(1OH, 2OMe)-B(none) | Flavanone | 5-Hydroxy-7,8-dimethoxyflavanone |
0.091 | [Flavanone]-A(1OH, 1OMe)-B(1OMe) | Flavanone | Tsugafolin |
0.091 | [Flavanone]-A(1OH, 1OMe)-B(1OMe) | Flavanone | Naringenin 7,4'-dimethyl ether |
0.083 | [Anthocyanidin]-A(2OH)-B(1OH, 1OMe) | Anthocyanidin | Peonidin |
0.083 | [Anthocyanidin]-A(1OH, 1OMe)-B(2OH) | Anthocyanidin | 5-Methoxycyanidin |
0.071 | [Flavonol]-A(1OH, 1OMe)-B(1OH) | Flavonol | Datin |
0.071 | [Flavonol]-A(1OH, 1OMe)-B(1OH) | Flavonol | Kaempferol 5-methyl ether |
0.071 | [Flavonol]-A(1OH, 1OMe)-B(1OH) | Flavonol | Rhamnocitrin |
0.071 | [Flavonol]-A(2OH, 1OMe)-B(none) | Flavonol | Alnusin |
0.071 | [Flavonol]-A(2OH, 1OMe)-B(none) | Flavonol | 8-Hydroxygalangin 7-methyl ether |
0.071 | [Flavonol]-A(2OH, 1OMe)-B(none) | Flavonol | 8-Methoxygalangin |
0.071 | [Flavonol]-A(1OH)-B(1OH, 1OMe) | Flavonol | Geraldol |
0.071 | [Flavonol]-A(1OH)-B(1OH, 1OMe) | Flavonol | Fisetin 4'-methyl ether |
0.071 | [Flavonol]-A(2OH)-B(1OMe) | Flavonol | 3,6,7-Trihydroxy-4'-methoxyflavone |
0.071 | [Flavonol]-A(2OH)-B(1OMe) | Flavonol | Ptaeroxylol |
0.071 | [Flavonol]-A(2OH)-B(1OMe) | Flavonol | Kaempferide |
0.059 | [Isoflavone]-A(1OH)-B(2OH, 1OMe) | Isoflavone | Gliricidin |
0.059 | [Isoflavone]-A(1OH)-B(2OH, 1OMe) | Isoflavone | 7,2',4'-Trihydroxy-3'-methoxyisoflavone |
0.059 | [Isoflavone]-A(1OH)-B(2OH, 1OMe) | Isoflavone | Koparin |
0.059 | [Isoflavone]-A(2OH, 1OMe)-B(1OH) | Isoflavone | 7,8,4'-Trihydroxy-6-methoxyisoflavone |
0.059 | [Isoflavone]-A(2OH, 1OMe)-B(1OH) | Isoflavone | Tectorigenin |
0.059 | [Isoflavone]-A(2OH, 1OMe)-B(1OH) | Isoflavone | Isotectorigenin |
0.059 | [Isoflavone]-A(1OH, 1OMe)-B(2OH) | Isoflavone | Santal |
0.059 | [Isoflavone]-A(1OH, 1OMe)-B(2OH) | Isoflavone | Cajanin |
0.059 | [Isoflavone]-A(2OH)-B(1OH, 1OMe) | Isoflavone | 7,8,3'-Trihydroxy-4'-methoxyisoflavone |
0.059 | [Isoflavone]-A(2OH)-B(1OH, 1OMe) | Isoflavone | 3'-O-Methylorobol |
0.059 | [Isoflavone]-A(2OH)-B(1OH, 1OMe) | Isoflavone | Pratensein |
0.059 | [Isoflavone]-A(2OH)-B(1OH, 1OMe) | Isoflavone | 2'-Hydroxybiochanin A |
0.000 | [Dihydroflavonol]-A(2OMe)-B(none) | Dihydroflavonol | 5,7-Di-O-methylpinobanksin |
0.000 | [Coumestan]-A(2OH)-B(2OH) | Coumestan | Demethylwedelolactone |
0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OMe) | Pterocarpan | 2-Methoxymedicarpin |
0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OMe) | Pterocarpan | Melilotocarpan A |
0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OMe) | Pterocarpan | 4-Methoxymedicarpin |
0.000 | [Pterocarpan]-A(1OH)-B(2OMe) | Pterocarpan | Methylnissolin |
0.000 | [Pterocarpan]-A(2OMe)-B(1OH) | Pterocarpan | Sparticarpin |
0.000 | [Pterocarpan]-A(1OMe)-B(1OH, 1OMe) | Pterocarpan | 8-Hydroxy-3,9-dimethoxypterocarpan |
0.000 | [Pterocarpan]-A(1OMe)-B(1OH, 1OMe) | Pterocarpan | Fruticarpin |
0.000 | [Isoflavanone]-A(1OH)-B(2OMe) | Isoflavanone | 3'-Methoxydihydroformononetin |
0.000 | [Isoflavanone]-A(1OH)-B(2OMe) | Isoflavanone | Sativanone |
0.000 | [Isoflavanone]-A(1OMe)-B(1OH, 1OMe) | Isoflavanone | Isosativanone |
0.000 | [Aurone]-A(1OH, 1OMe)-B(2OH) | Aurone | Leptosidin |
0.000 | [Aurone]-A(1OH, 1OMe)-B(2OH) | Aurone | Rengasin |
0.000 | [Aurone]-A(2OH, 1Methyl)-B(2OH) | Aurone | 4,6,3',4'-Tetrahydroxy-5-methylaurone |
0.000 | [Aurone]-A(2OH, 1Methyl)-B(2OH) | Aurone | 4,6,3',4'-Tetrahydroxy-7-methylaurone |
0.000 | [CCS-type derivative / [alpha,2]-Epoxymethanochalcone]-A(2OH)-B(2OH) | CCS-type derivative / [alpha,2]-Epoxymethanochalcone | Peltochalcone |
0.000 | [CCS-type derivative / [alpha,2]-Epoxymethanochalcone]-A(2OH)-B(2OH) | CCS-type derivative / [alpha,2]-Epoxymethanochalcone | Mopachalcone |
0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone]-A(2OH, 1OMe)-B(none) | UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone | Pedicinin |
0.000 | [UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(2OMe)-B(none) | UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone | Methylliderone |
0.000 | [Dihydrochalcone]-A(1OH, 2OMe, 1Methyl)-B(none) | Dihydrochalcone | 2'-Hydroxy-4',6'-dimethoxy-3'-methyldihydrochalcone |
0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 2Methyl)-B(none) | Dihydrochalcone | Myrigalon B |
0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 2Methyl)-B(none) | Dihydrochalcone | Angoletin |
0.000 | [Dihydrochalcone]-A(3OH, 1Formyl, 1Methyl)-B(none) | Dihydrochalcone | 3'-Formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone |
0.000 | [UBR-type derivative / 2',4',6'-trioxocyclohexanyl-type Dihydrochalcone]-A(3Methyl)-B(none) | UBR-type derivative / 2',4',6'-trioxocyclohexanyl-type Dihydrochalcone | 2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione |
0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavanone | 5,4'-Dihydroxy-7-methoxy-6-methylflavanone |
0.000 | [Flavanone]-A(2OH, 1Methyl)-B(1OMe) | Flavanone | 5,7-Dihydroxy-4'-methoxy-8-methylflavanone |
0.000 | [Flavanone]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavanone | 5,4'-Dihydroxy-7-methoxy-8-methylflavanone |
0.000 | [Flavanone]-A(2OH, 2Methyl)-B(1OH) | Flavanone | Farrerol |
0.000 | [Flavanone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Flavanone | 5,2'-Dihydroxy-6,7-methylenedioxyflavanone |
0.000 | [2-Hydroxyflavanone]-A(1OH, 1OMe, 1Methyl)-B(none) | 2-Hydroxyflavanone | 2,5-Dihydroxy-7-methoxy-6-methylflavanone |
0.000 | [2-Hydroxyflavanone]-A(1OH, 1OMe, 1Methyl)-B(none) | 2-Hydroxyflavanone | 2,5-Dihydroxy-7-methoxy-8-methylflavanone |
0.000 | [3-substituted Flavone (3-Methyl)]-A(2OH)-B(2OH) | 3-substituted Flavone | 3-C-Methylluteolin |
0.000 | [Flavone]-A(2OH, 1Methyl)-B(2OH) | Flavone | 6-Methylluteolin |
0.000 | [Dihydroflavonol]-A(1OH, 1([@@]-Methylenedioxy))-B(none) | Dihydroflavonol | 3,5-Dihydroxy-6,7-methylenedioxyflavanone |
0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | Peltogynone |
0.000 | [CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone | Mopanone |
0.000 | [Flavonol (3-OMe)]-A(1OH)-B(2OH) | Flavonol | Fisetin 3-methyl ether |
0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH) | Flavonol | 6,7,4'-Trihydroxy-3-methoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH) | Flavonol | 7,8,4'-Trihydroxy-3-methoxyflavone |
0.000 | [Flavonol (3-OMe)]-A(2OH)-B(1OH) | Flavonol | Isokaempferide |
0.000 | [Flavonol]-A(2OH, 1Methyl)-B(1OH) | Flavonol | 6-C-Methylkaempferol |
0.000 | [Flavonol]-A(2OH, 1Methyl)-B(1OH) | Flavonol | 8-C-Methylkaempferol |
0.000 | [Flavonol]-A(3OH, 1Methyl)-B(none) | Flavonol | Isoplatanin |
0.000 | [Flavonol (3-OMe)]-A(3OH)-B(none) | Flavonol | 8-Hydroxygalangin 3-methyl ether |
0.000 | [Flavonol]-A(3OH, 1Methyl)-B(none) | Flavonol | Platanin |
0.000 | [Flavan]-A(1OMe)-B(1OH, 1([@@]-Methylenedioxy)) | Flavan | 2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan |
0.000 | [Flavan]-A(2OMe)-B(1OMe) | Flavan | 5,7,4'-Trimethoxyflavan |
0.000 | [Flavan]-A(2OMe, 1Methyl)-B(1OH) | Flavan | 4'-Hydroxy-5,7-dimethoxy-8-methylflavan |
0.000 | [3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(2OH) | 3-DehydroxyAnthocyanidin | 5-Methyl-6-hydroxyluteolinidin |
0.000 | [Isoflavanone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavanone | Sophorol |
0.000 | [Isoflavan]-A(1OH)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavan | Astraciceran |
0.000 | [isoflavene]-A(1OH)-B(1OH, 2OMe) | isoflavene | 2'-O-Methylsepiol |
0.000 | [isoflavene]-A(1OH)-B(1OH, 2OMe) | isoflavene | Haginin A |
0.000 | [isoflavene]-A(1OH)-B(1OH, 2OMe) | isoflavene | Odoriflavene |
0.000 | [isoflavene]-A(1OH, 1OMe)-B(1OH, 1OMe) | isoflavene | 7,2'-Dihydroxy-8,4'-dimethoxyisoflav-3-ene |
0.000 | [Pterocarpan]-A(2OH)-B(1([@@]-Methylenedioxy)) | Pterocarpan | 2-Hydroxymaackiain |
0.000 | [Pterocarpan]-A(2OH)-B(1([@@]-Methylenedioxy)) | Pterocarpan | 4-Hydroxymaackiain |
0.000 | [Pterocarpan-6a-ol]-A(1OMe)-B(1OMe) | Pterocarpan-6a-ol | Homopisatin |
0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | 6a-Hydroxymaackiain |
0.000 | [Pterocarpan-6-ol (6-OMe)]-A(1OH)-B(1OMe) | Pterocarpan-6-ol | Sophoracarpan A |
0.000 | [2-Phenylbenzofuran]-A(1OH, 1OMe)-B(2OMe) | 2-Phenylbenzofuran | Methylsainfuran |
0.000 | [2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH, 1OMe) | 2-Phenylbenzofuran | Sophorafuran A |
0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(2OH) | 4-phenylcoumarin | 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin |
0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(2OH) | 4-phenylcoumarin | 7,3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin |
0.000 | [Dalbergiquinol]-A(3OMe)-B(1OH) | Dalbergiquinol | 5-O-Methyllatifolin |
0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OH)-B(2OMe) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4'-Hydroxy-3,4-dimethoxydalbergione |
0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH, 1OMe) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 3'-Hydroxy-4,4'-dimethoxydalbergione |