ピーク情報
|
はつか大根 根
pos
|
| Peak #4912 MN MID: SE202_S11_M90 |
| m/z: 547.16072, RT: 43.59, 強度: 61492, ログ強度: 1.34, 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: (24 names) Phaeosphenone;(+)-Phaeosphenone;Globiflorin 3B1;6,7-Dihydro-6-(2,4-dihydroxyphenyl)-8-(3,4-dihydroxyphenyl)-7-hydroxy-8H-pyrano[3,2-g]fisetinidol;Fisetinidol-(4alpha->8)-afzelechin;Shiraiachrome A;Afz... |
| DBごとのヒット数: ALL 20 KG 3 KN 16 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.038 |
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 |
|---|---|---|---|---|
| C30H26O10 | 546.15260 | 1.548 | Phaeosphenone | KNApSAcK: C00047333, C00048811 |
| C30H26O10 | 546.15260 | 1.548 | Guibourtinidol-(4alpha->6)-catechin | KEGG: C10231 KNApSAcK: C00009125, C00020591 LipidMAPS: LMPK12030012 |
| C30H26O10 | 546.15260 | 1.548 | 6,7-Dihydro-6-(2,4-dihydroxyphenyl)-8-(3,4-dihydroxyphenyl)-7-hydroxy-8H-pyrano[3,2-g]fisetinidol | KNApSAcK: C00008934, C00008935 |
| C30H26O10 | 546.15260 | 1.548 | Fisetinidol-(4alpha->8)-afzelechin | KNApSAcK: C00009134 |
| C30H26O10 | 546.15260 | 1.548 | Shiraiachrome A | KNApSAcK: C00023734, C00023735 |
| C30H26O10 | 546.15260 | 1.548 | Afzelechin-(4alpha->8)-afzelechin | KEGG: C10209 KNApSAcK: C00002906, C00009055, C00009056 |
| C30H26O10 | 546.15260 | 1.548 | Butiniflavan-(4beta->8)-epicatechin | KNApSAcK: C00013274 |
| C30H26O10 | 546.15260 | 1.548 | Guibourtinidol-(4alpha->8)-catechin | KNApSAcK: C00009126, C00009127, C00009128 |
| C30H26O10 | 546.15260 | 1.548 | 8,9-Dihydro-10-(2,4-dihydroxyphenyl)-9-hydroxy-8-(4-hydroxyphenyl)-10H-pyrano[2,3-h]-ent-fisetinidol | KNApSAcK: C00008937 |
| C30H26O10 | 546.15260 | 1.548 | 4'-(2,4-Dihydroxyphenyl)-2'-(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro(2,6')-bis-2H-1-benzopyran3,3',7,8'-tetraol | KNApSAcK: C00008939 |
| C30H26O10 | 546.15260 | 1.548 | Fisetinidol-(4alpha->8)-fisetinidol | KNApSAcK: C00009148 |
| C30H26O10 | 546.15260 | 1.548 | Chaetochromin A | KNApSAcK: C00038728 |
| C30H26O10 | 546.15260 | 1.548 | Fisetinidol-(4alpha->6)-fisetinidol | KNApSAcK: C00009143, C00009144, C00009145 |
| C30H26O10 | 546.15260 | 1.548 | Hypocrellin | KNApSAcK: C00023676 |
| C30H26O10 | 546.15260 | 1.548 | 8,9-Dihydro-10-(2,4-dihydroxyphenyl)-8-(3,4-dihydroxyphenyl)-9-hydroxy-10H-pyrano[2,3-h]fisetinidol | KNApSAcK: C00008936, C00008938 |
| C30H26O10 | 546.15260 | 1.548 | Xanthoaphin | KEGG: C01863 |
| C30H26O10 | 546.15260 | 1.548 | hypocrellin a | HMDB: HMDB0253310 |
| C30H26O10 | 546.15260 | 1.548 | Fisetinidol-(4beta->6')-fisetinidol | KNApSAcK: C00009161, C00009162 |
| C30H26O10 | 546.15260 | 1.548 | Antibiotic Tf 26Vx | KNApSAcK: C00018255 |
| C30H26O10 | 546.15260 | 1.548 | Elsinochrome D | KNApSAcK: C00023677 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 547.16003 |
| Splash: splash10-03ml-0086900000-b59194ff8f7cb33f922b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 411.09 | 3560 | 136 | 1000 |
| 393.20 | 2876 | 154 | 807 |
| 275.07 | 1738 | 272 | 488 |
| 285.15 | 923 | 262 | 259 |
| 287.17 | 781 | 260 | 219 |
| 423.13 | 679 | 124 | 190 |
| 421.13 | 599 | 126 | 168 |
| 379.15 | 580 | 168 | 162 |
| 273.13 | 566 | 274 | 158 |
| 231.02 | 417 | 316 | 117 |
| 529.11 | 323 | 18 | 90 |
| 405.20 | 289 | 142 | 81 |
| 243.09 | 244 | 304 | 68 |
| 511.23 | 218 | 36 | 61 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 393.22333 |
| Splash: splash10-000i-0090000000-2cce17ba8aa00bb56105 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 287.05 | 321 | 106 | 1000 |
| 299.18 | 60 | 94 | 187 |
| 267.06 | 54 | 126 | 167 |
| 243.21 | 52 | 150 | 160 |
| 255.15 | 40 | 138 | 123 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.048 | [2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4,2',4'-Trihydroxy-3',5'-diprenylchalcone |
| 0.048 | [Flavanone]-A(1OH)-B(1OH, 2(C-Prenyl)) | Flavanone | 7,4'-Dihydroxy-3',5'-di-C-prenylflavanone |
| 0.048 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 2(C-Prenyl)) | 2'-Hydroxychalcone | Abyssinone VI |
| 0.000 | [Flavanone]-A(1OH, 2(C-Prenyl))-B(1OH) | Flavanone | 7,4'-Dihydroxy-6,8-di-C-prenylflavanone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Kanzonol C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Stipulin |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavanone | 7,4'-Dihydroxy-8,3'-di-C-prenylflavanone |
| 0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6,8-di-C-prenylflavanone |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Ficifolinol |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Erythrabyssin II |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Erybraedin C |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Erybraedin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | 2'-Hydroxychalcone | Artoindonesianin J |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | 2'-Hydroxychalcone | Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(1OH) | 2'-Hydroxychalcone | Flemiwallichin E |
| 0.000 | [2'-Hydroxychalcone]-A(3OH, 1Geranyl)-B(none) | 2'-Hydroxychalcone | 3'-Geranyl-2',4',6'-trihydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(3OH, 1Neryl)-B(none) | 2'-Hydroxychalcone | 3'-Neryl-2',4',6'-trihydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | 2'-Hydroxychalcone | Linderachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1Br)-B(1OMe) | 2'-Hydroxychalcone | 3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1Methyl)-B(none) | Dihydrochalcone | Anguvetin |
| 0.000 | [Flavanone]-A(1OH, 1Geranyl)-B(1OH) | Flavanone | Prostratol F |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Flavanone | Euchrenone a17 |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano))) | Flavanone | Dorsmanin B |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(none) | Flavanone | 5,7-Dihydroxy-8-C-geranylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | Flavanone | Linderatone |
| 0.000 | [Flavone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavone | Semiglabrin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(5-hydroxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none) | Flavone | Hosloppin |
| 0.000 | [Flavone]-A(2OMe, 1(2,5-Dihydro-5,5-dimethyl-2-oxo-3-furanyl))-B(none) | Flavone | Hookerianin |
| 0.000 | [Flavone]-A(1OMe, 1([5,4:@@]-(2,2-Dimethyldihydro-3-oxofuro[2,3-c]pyrano)))-B(none) | Flavone | Stachyoidin |
| 0.000 | [Flavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH) | Flavonol | 8-C-p-Hydroxybenzylkaempferol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OH) | Flavonol | 5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavan | Kazinol B |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl)) | Isoflavan | Hispaglabridin A |
| 0.000 | [6a-substituted Pterocarpan (6a-C-Prenyl)]-A(1OH)-B(1OH, 1(C-Prenyl)) | 6a-substituted Pterocarpan | Lespein |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1Geranyl) | Pterocarpan | Lespedezin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydrorotenone |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Dehydrorotenone | Dehydrodeguelin,7a,13a-Didehydrodeguelin |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Butyroyl)-B(none) | 4-phenylcoumarin | 6-Butyryl-5,7-dihydroxy-8-prenyl-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Isobutyroyl)-B(none) | 4-phenylcoumarin | Mesuol |
| Level: 3, プリカーサーm/z: 411.08563 |
| Splash: splash10-002o-0095000000-ceca3ebfac54de1dcce2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 393.25 | 234 | 18 | 1000 |
| 285.12 | 175 | 126 | 746 |
| 275.15 | 125 | 136 | 532 |
| 287.06 | 44 | 124 | 189 |
| 231.17 | 26 | 180 | 109 |
| 178.97 | 14 | 232 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.038 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | Isoflavone | Toxicarolisoflavone |
| 0.033 | [Isoflavone]-A(1OMe, 1(C-Prenyl))-B(3OMe) | Isoflavone | Prebarbigerone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-p-Hydroxybenzoyl)) | Flavan 3-ol | Catechin 3-O-p-hydroxybenzoate |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Pongapinone A |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(2OH, 1Geranyl) | Dihydrochalcone | 2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(1OH, 2(C-Prenyl)) | Dihydrochalcone | 4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Dihydrochalcone alpha-ol | Kanzonol Y |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none) | UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone | 3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH) | Dihydroflavonol | Gericudranin C |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH) | Dihydroflavonol | Gericudranin B |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Flavonol | Velloquercetin 3,3',4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 3,5,3'-trimethyl ether |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl))-B(2OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Preferrugone |
| 0.000 | [Isoflavone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Isoflavone | Pre-5-methoxydurmillone |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | Rotenone | Amorphigenin |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Rotenone | Sumatrol |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Toxicarol |
| 0.000 | [6-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | 6-Hydroxyrotenone | 2,3,6-Trihydroxy-5''-isopropenyldihydrofurano[2'',3'':9,8]rotenone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | Tephrosin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydrodalpanol |