ピーク情報
|
はつか大根 根
pos
|
| Peak #6190 MN MID: SE202_S11_M90 |
| m/z: 455.08731, RT: 61.22, 強度: 2579, ログ強度: -0.03, 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: Chlorocyclinone A |
| DBごとのヒット数: ALL 1 KN 1 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C24H19O7Cl | 454.08193 | -4.177 | Chlorocyclinone A | KNApSAcK: C00038752 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 455.08716 |
| Splash: splash10-016r-0029400000-08666c27f92a92e1a502 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 319.09 | 4693 | 136 | 1000 |
| 427.20 | 2454 | 28 | 522 |
| 293.05 | 1328 | 162 | 282 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | Flavone | 7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone |
| 0.000 | [Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methyl-3-hexenyl))-B(1OH, 1OMe) | Flavanone | Leachianone D |
| 0.000 | [3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH) | 3-substituted Flavone | 5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH, 1OMe) | Dihydroflavonol | Diplacol 4'-methylether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH) | Dihydroflavonol | Kushenol I |
| Level: 3, プリカーサーm/z: 319.08844 |
| Splash: splash10-004i-0090000000-7fedeeb1e2c63eab0673 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 275.07 | 2356 | 44 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,6,7,3',4',5'-Hexahydroxyflavone |
| 0.000 | [Flavone]-A(3OH)-B(3OH) | Flavone | 5,7,8,3',4',5'-Hexahydroxyflavone |
| 0.000 | [Flavone]-A(4OH)-B(2OH) | Flavone | Bitalgenin |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(2OH) | Dihydroflavonol | Taxifolin 3-methyl ether |
| 0.000 | [Anthocyanidin]-A(3OH)-B(3OH) | Anthocyanidin | 6-Hydroxydelphinidin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-6-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Dihydroisorhamnetin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 8-Methoxyfustin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | 3,5,2',3'-Tetrahydroxy-7-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Taxifolin 5-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(2OH) | Dihydroflavonol | Padmatin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | 3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH, 1OMe) | Dihydroflavonol | Taxifolin 4'-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH)-B(2OH, 1OMe) | Dihydroflavonol | Sepinol |
| 0.000 | [Flavanone]-A(3OH)-B(1OH, 1OMe) | Flavanone | 8-Hydroxyhesperetin |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 5,7,2',5'-Tetrahydroxy-6-methoxyflavanone |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 6-Methoxyeriodictyol |
| 0.000 | [Flavanone]-A(2OH, 1OMe)-B(2OH) | Flavanone | 8-Methoxyeriodictyol |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | Bryaflavan |
| 0.000 | [Isoflavan]-A(2OH)-B(1OH, 2OMe) | Isoflavan | 8-Demethylduartin |
| 0.000 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 5,3'-dimethyl ether |
| 0.000 | [Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 7,4'-dimethyl ether |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OMe) | Flavan 3-ol | Catechin 3',4'-dimethyl ether |
| 0.000 | [Flavonol]-A(4OH)-B(1OH) | Flavonol | 3,5,6,7,8,4'-Hexahydroxyflavone |
| 0.000 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Quercetagetin |
| 0.000 | [Flavonol]-A(3OH)-B(2OH) | Flavonol | Gossypetin |
| 0.000 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,8,3',4',5'-Hexahydroxyflavone |
| 0.000 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | Myricetin |
| 0.000 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 5'-Hydroxymorin |
| 0.000 | [Flavonol]-A(2OH)-B(3OH) | Flavonol | 3,5,7,2',3',4'-Hexahydroxyflavone |
| 0.000 | [UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone]-A(2OH, 2Methyl)-B(1OH) | UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone | Protofarrerol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | 6-Methyltaxifolin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH) | Dihydroflavonol | Deodarin |
| 0.000 | [Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OH) | Flavan 4-ol | 4,5,7,4'-Tetrahydroxy-6-hydroxymethyl-8-methylflavan |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OH, 1OMe) | Isoflavanone-3-ol | Bolusanthin |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-COOH)]-A(2OH)-B(3OH) | 3-substituted 2-Phenylbenzofuran | Norwedelic acid |
| Level: 3, プリカーサーm/z: 427.21109 |
| Splash: splash10-0a4i-0012900000-ddab5a92da240ad42218 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 409.24 | 1271 | 18 | 1000 |
| 305.12 | 248 | 122 | 194 |
| 293.05 | 184 | 134 | 144 |
| 333.18 | 104 | 94 | 81 |
| 410.31 | 72 | 17 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(1OH)-C(1(O-Galloyl)) | Flavan 3-ol | Afzelechin 3-O-gallate |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Hydroxybenzoyl)) | Flavan 3-ol | Gallocatechin 3-O-p-hydroxybenzoate |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Dihydrochalcone | 2',4',6',3,4-Pentahydroxy-3',5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(4OH, 1Geranyl)-B(1OH) | Dihydrochalcone | 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(4OH, 1Neryl)-B(1OH) | Dihydrochalcone | 4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone beta-ol | Ponganone VIII |
| 0.000 | [Flavanone]-A(1OMe, 1(1(O-Acetyl)-2,4-Dihydroxy-5,5-dimethyltetrahydro-3-furanyl))-B(none) | Flavanone | Tephrorin A |
| 0.000 | [Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH) | Flavanone | Kushenol T |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl)) | Flavanone | Propolin E |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavan | Broussoflavan A |
| 0.000 | [6-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Hydroxyrotenone | Villosin |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Dalbinol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Villosinol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | 11-Hydroxytephrosin |