ピーク情報
|
はつか大根 根
pos
|
| Peak #4908 MN MID: SE202_S11_M90 |
| m/z: 395.07988, RT: 43.58, 強度: 80434, ログ強度: 1.46, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: Diflufenican |
| DBごとのヒット数: ALL 1 KG 1 |
| FlavonoidSearch最大スコア MS2: 0.200, MS3: 0.294 |
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 |
|---|---|---|---|---|
| C19H11O2N2F5 | 394.07407 | -3.718 | Diflufenican | HMDB: HMDB0251262 KEGG: C18549 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 395.07925 |
| Splash: splash10-00di-0090000000-5a5c2f4dfc63820bae5d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.02 | 42036 | 122 | 1000 |
| 227.03 | 2226 | 168 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.200 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Benzoyl)) | Flavan 3-ol | Catechin 3-O-benzoate |
| 0.000 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe) | Isoflavone | Barbigerone |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 2(C-Prenyl)) | Dihydrochalcone | Gancaonin J |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1OH, 1Geranyl) | Dihydrochalcone | 3-Geranyl-4,2',4'-trihydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none) | Dihydrochalcone | 2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none) | Dihydrochalcone | Linderatin |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavanone | Purpurin |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-Furano))-B(2OH) | Flavanone | 3',4'-Dihydroxy-7-methoxy-8-prenyl-[2'',3'':5,6]furanoflavanone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(2OH) | Flavone | Demethyltorosaflavone C |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Muxiangrin I |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH) | Dihydroflavonol | Gericudranin E |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavonol | 8-C-Methylvellokaempferol 3,5-dimethyl ether |
| 0.000 | [Flavan]-A(1OH)-B(2OH, 2(C-Prenyl)) | Flavan | Kazinol A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | Rotenone | Rotenone |
| 0.000 | [Rotenone]-A(1OH, 1(Penta-1,4-dienyl))-B(2OMe) | Rotenone | Myriconol |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | Rotenone | Deguelin |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxyisomillettone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | Millettosin |
| 0.000 | [Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropyldihydrofurano)))-B(2OMe) | Dehydrorotenone | Dehydrodihydrorotenone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Robustic acid methyl ether |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Robustin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 4-Hydroxy-3-phenylcoumarin | Isorobustin |
| Level: 3, プリカーサーm/z: 273.02460 |
| Splash: splash10-0a5a-0590000000-d5336250856122cf2adb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 255.14 | 11673 | 18 | 1000 |
| 231.02 | 7199 | 42 | 616 |
| 146.91 | 5672 | 126 | 485 |
| 118.98 | 3949 | 154 | 338 |
| 150.99 | 1254 | 122 | 107 |
| 245.15 | 1209 | 28 | 103 |
| 106.99 | 1145 | 166 | 98 |
| 213.01 | 888 | 60 | 76 |
| 243.08 | 779 | 30 | 66 |
| 122.98 | 760 | 150 | 65 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.294 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.278 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.267 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.250 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.250 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.250 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.250 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.188 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.158 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.158 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.158 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.150 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.143 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 0.111 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.111 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.077 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.077 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.071 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.071 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
| 0.071 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
| 0.071 | [Isoflavan]-A(1OMe)-B(2OH) | Isoflavan | Neovestitol |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | Uvangoletin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | Loureirin C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',6',beta-Tetrahydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Methyl)-B(none) | Dihydrochalcone | 3'-Methyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(none) | 2-Hydroxyflavanone | 2,5,7-Trihydroxyflavanone (2beta) |
| 0.000 | [Flavan]-A(1OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(1OMe) | Flavan | 5,7-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH) | Pterocarpan-6a-ol | Glycinol |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe) | alpha-Methyldeoxybenzoin | Angolensin |