ピーク情報
|
イネ 玄米 ニッポンバレ
pos
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| Peak #2901 MN MID: SE199_S21_M90 |
| m/z: 369.11843, RT: 38.51, 強度: 5523, ログ強度: 0.34, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 7 |
| DB検索結果: (9 names) 3,4-Dihydroxyphenylvaleric acid 4 glucuronide;3,5-Dihydroxyphenylvaleric acid glucuronide;1-O-Sinapoylglucose;3'-O-beta-Glucopyranosyl plumbagic acid;3,4-Dihydroxyphenylvaleric acid 3 glucuronide;Hedy... |
| DBごとのヒット数: ALL 9 KG 2 KN 2 HM 5 |
| FlavonoidSearch最大スコア MS2: 0.087, 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 |
|---|---|---|---|---|
| C17H22O10 | 386.12130 | 1.082 | 3,4-Dihydroxyphenylvaleric acid 4 glucuronide | HMDB: HMDB0240446 |
| C17H22O10 | 386.12130 | 1.082 | 3,5-Dihydroxyphenylvaleric acid glucuronide | HMDB: HMDB0240451 |
| C17H22O10 | 386.12130 | 1.082 | 1-O-Sinapoyl-beta-D-glucose | HMDB: HMDB0041175, HMDB0302379 KEGG: C01175 KNApSAcK: C00013592 |
| C17H22O10 | 386.12130 | 1.082 | 3'-O-beta-Glucopyranosyl plumbagic acid | KNApSAcK: C00036560 |
| C17H22O10 | 386.12130 | 1.082 | 3,4-Dihydroxyphenylvaleric acid 3 glucuronide | HMDB: HMDB0240445 |
| C17H22O10 | 386.12130 | 1.082 | Hedyotoside | KNApSAcK: C00049175 |
| C17H22O10 | 386.12130 | 1.082 | 4-O-beta-D-Glucosyl-sinapate | HMDB: HMDB0303764 KEGG: C02919 KNApSAcK: C00011172 |
| C28H19P | 386.12244 | -1.875 | Diphenyl-1-pyrenylphosphine | HMDB: HMDB0251454 |
| C22H18ON4S | 386.12013 | 4.099 | N-Methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide | HMDB: HMDB0243646 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 369.11829 |
| Splash: splash10-0a4i-0092000000-d29bf05523ddca1cdffa |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 207.01 | 2305 | 162 | 1000 |
| 351.11 | 754 | 18 | 326 |
| 175.03 | 156 | 194 | 67 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.087 | [Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Kwakhurin |
| 0.083 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone | Glycyrrhisoflavanone |
| 0.083 | [Isoflavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone | Isosophoronol |
| 0.077 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.077 | [Flavanone]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinin I |
| 0.063 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4'-O-Methylxanthohumol |
| 0.059 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | Flavanone | Flowerine |
| 0.048 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OMe) | Flavonol | Noranhydroicaritin 4'-methyl ether |
| 0.042 | [Isoflavone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavone | 2'-Deoxypiscerythrone |
| 0.042 | [Isoflavone]-A(1OH, 1OMe)-B(2OH, 1(C-Prenyl)) | Isoflavone | Glisoflavone |
| 0.042 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | Gancaonin B |
| 0.042 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | 5,7,4'-Trihydroxy-3'-methoxy-8-prenylisoflavone |
| 0.042 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavone | Gancaonin N |
| 0.042 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Isoflavone | Barpisoflavone B |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavonol | Sophoflavescenol |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavonol | Isoanhydroicaritin |
| 0.000 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavone | Cannflavin B |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | Pterocarpan | Edulenol |
| 0.000 | [Flavanone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | Quercetol C |
| 0.000 | [Flavanone]-A(2OMe, 1(3-Methyl-2,3-epoxybutyl))-B(none) | Flavanone | Epoxycandidone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Hydroxymethyl)-B(1OH) | Flavanone | 4',5-Dihydroxy-8-hydroxymethyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| 0.000 | [UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone]-A(1OH, 2Methyl, 1(1-Methyl-1-([5,4;6,5]-tetrahydrofuran-3-yl)-ethyl))-B(none) | UBR-type derivative / 7-Oxo-cyclohex-4a-enyl-type Flavanone | Louisfieserone A |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe) | Flavone | Ciliatin B |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe)-B(2OH) | 3-substituted Flavone | Integrin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(2OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclochampedol |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone]-A(1OH, 1OMe)-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1,1-dimethylpropyno)flavone | Cyclointegrin |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(2OH)-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artoindonesianin P |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavonol | Topazolin |
| 0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OMe) | Flavonol | 3,5,7-Trihydroxy-4'-methoxy-8-(1,1-dimethylprop-2-en-1-yl)flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH) | Flavonol | Ugonin C |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | Velloquercetin |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan 4-ol | Quercetol B |
| 0.000 | [Flavan-2-ol (2-OMe)]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan-2-ol | Tephrowatsin D |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Isoflavan | Sphaerosinin |
| 0.000 | [Isoflavan]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Leiocinol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautanol |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OMe) | Pterocarpan | Edulane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OMe) | Pterocarpan-6a-ol | 9-O-Methylglyceofuran |
| 0.000 | [Coumestan]-A(1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))-B(1OH) | Coumestan | Corylidin |
| 0.000 | [Rotenone]-A(1OH, 1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Malaccol |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyerosone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Coumaranochromon | Lupinalbin E |
| 0.000 | [Coumaranochromon]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Coumaranochromon | Lupinalbin C |
| 0.000 | [3-Phenylcoumarin]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 3-Phenylcoumarin | Glycycoumarin |
| 0.000 | [3-Phenylcoumarin]-A(1OH, 1OMe, 1(1,1-Dimethylallyl))-B(2OH) | 3-Phenylcoumarin | Licoarylcoumarin |
| 0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | 3-Phenylcoumarin | Isoglycycoumarin |