ピーク情報
|
はつかだいこん 根 生
pos
|
| Peak #1528 MN MID: SE119_S062401_M90 |
| m/z: 397.12737, RT: 13.30, 強度: 346, ログ強度: -0.89, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4 |
| DB検索結果: (27 names) 8-C-Methylvelloquercetin 3-methyl ether;Artoindonesianin S;5,6-Dihydro-1,4,8-trihydroxy-3,10-dimethoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one;Cilinaphthalide A;Collybolide;Mollicellin L;Blanchaq... |
| DBごとのヒット数: ALL 23 KN 22 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.107, 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 |
|---|---|---|---|---|
| C22H20O7 | 396.12090 | -2.048 | 8-C-Methylvelloquercetin 3-methyl ether | FlavonoidViewer: FL5FDCNF0002 KNApSAcK: C00005105 LipidMAPS: LMPK12112717 |
| C22H20O7 | 396.12090 | -2.048 | Artoindonesianin S | FlavonoidViewer: FL3FRNNR0001 KNApSAcK: C00013476 LipidMAPS: LMPK12111535 |
| C22H20O7 | 396.12090 | -2.048 | Cilinaphthalide A | KNApSAcK: C00049571 |
| C22H20O7 | 396.12090 | -2.048 | Collybolide | KNApSAcK: C00011552 |
| C22H20O7 | 396.12090 | -2.048 | Mollicellin L | KNApSAcK: C00048007 |
| C22H20O7 | 396.12090 | -2.048 | Blanchaquinone | KNApSAcK: C00043317 |
| C22H20O7 | 396.12090 | -2.048 | Velloquercetin 3,3'-dimethyl ether | FlavonoidViewer: FL5FDDNF0001 KNApSAcK: C00005102 LipidMAPS: LMPK12112738 |
| C22H20O7 | 396.12090 | -2.048 | beta-Apopicropodophyllin | KNApSAcK: C00034971 |
| C22H20O7 | 396.12090 | -2.048 | 3-O-Demethylamorphigenin | FlavonoidViewer: FLIF1LNF0010 KNApSAcK: C00009974 LipidMAPS: LMPK12060016 |
| C22H20O7 | 396.12090 | -2.048 | Pumilaisoflavone D | FlavonoidViewer: FLIAAINP0001 KNApSAcK: C00009893 LipidMAPS: LMPK12050271 |
| C22H20O7 | 396.12090 | -2.048 | Brandisianin B | KNApSAcK: C00038631 |
| C22H20O7 | 396.12090 | -2.048 | Artonin L | FlavonoidViewer: FL3FRNNF0002 HMDB: HMDB0040674 KNApSAcK: C00013479 LipidMAPS: LMPK12111520 |
| C22H20O7 | 396.12090 | -2.048 | Velloquercetin 3',4'-dimethyl ether | KNApSAcK: C00049326 |
| C22H20O7 | 396.12090 | -2.048 | Parimycin | KNApSAcK: C00015123 |
| C22H20O7 | 396.12090 | -2.048 | Fernolin | KNApSAcK: C00019869 |
| C22H20O7 | 396.12090 | -2.048 | Diffusarotenoid | KNApSAcK: C00019361 |
| C22H20O7 | 396.12090 | -2.048 | 6,8-Di-O-methylaverufin | HMDB: HMDB0035465 |
| C22H20O7 | 396.12090 | -2.048 | 4'-Demethyltoxicarol | KNApSAcK: C00019668 |
| C22H20O7 | 396.12090 | -2.048 | Monomethylmitorubrin | KNApSAcK: C00053509 |
| C22H20O7 | 396.12090 | -2.048 | Elongatin | FlavonoidViewer: FLIAALNP0005 KNApSAcK: C00009512 LipidMAPS: LMPK12050312 |
| C22H20O7 | 396.12090 | -2.048 | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one | FlavonoidViewer: FL3FAINP0001 KNApSAcK: C00013440 LipidMAPS: LMPK12110872 |
| C22H20O7 | 396.12090 | -2.048 | 12-Deoxo-12alpha-acetoxyelliptone | KNApSAcK: C00019728 |
| C22H20O7 | 396.12090 | -2.048 | Laurenquinone A | KNApSAcK: C00030645 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 397.12729 |
| Splash: splash10-004i-0977000000-f3ce7b9dde72b0574b3f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 129.93 | 556 | 267 | 1000 |
| 379.21 | 287 | 18 | 516 |
| 268.13 | 246 | 129 | 443 |
| 282.34 | 157 | 115 | 281 |
| 352.27 | 61 | 45 | 109 |
| 380.39 | 43 | 17 | 76 |
| 203.79 | 38 | 193 | 68 |
| 299.16 | 38 | 98 | 67 |
| 353.14 | 37 | 44 | 66 |
| 361.24 | 35 | 36 | 63 |
| 335.03 | 29 | 62 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.107 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Elongatin |
| 0.105 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | 2'-Hydroxychalcone | Glabrachalcone |
| 0.105 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Ponganone VI |
| 0.105 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | Glychalcone B |
| 0.105 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 2'-Hydroxychalcone | 6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone |
| 0.100 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Ponganone IV |
| 0.100 | [Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Flavanone | Glyflavanone B |
| 0.067 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavone | Pumilaisoflavone D |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Ovalichalcone A |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Pongagallone B |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 2Methyl) | Flavone | Muxiangrin III |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artoindonesianin S |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin L |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | 8-C-Methylvelloquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavonol | 3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 2OMe) | Isoflavone | 5,4'-Dihydroxy-3',5'-dimethoxy-(5''-Isopropenyldihydrofurano)[2'',3'':7,6]isoflavone |
| 0.000 | [Pterocarpan]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neoraucarpan |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1OH, 1OMe) | Rotenone | 3-O-Demethylamorphigenin |
| 0.000 | [Rotenone]-A(1OH, 1(C-Prenyl))-B(2OMe) | Rotenone | Rotenonic acid |
| 0.000 | [4-Benzoylchroman]-A(2OMe)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | 4-Benzoylchroman | Rotenol |