ピーク情報
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パセリ 根
pos
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| Peak #3599 MN MID: SE61_S24_M90 |
| m/z: 343.13861, RT: 38.19, 強度: 2845, ログ強度: -0.04, 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: (15 names) Bidensyneoside C;(-)-Bidensyneoside C;3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione;(-)-Macrosphelide L; Macrosphelide L;Veranisatin A;Macrosphelide D;4-Hydr... |
| DBごとのヒット数: ALL 12 KG 1 KN 8 HM 3 |
| FlavonoidSearch最大スコア MS2: 0.053, 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 |
|---|---|---|---|---|
| C16H22O8 | 342.13147 | -0.381 | Bidensyneoside C | KNApSAcK: C00031631, C00032767 |
| C16H22O8 | 342.13147 | -0.381 | 3-Hydroxy-3-(3,4-dihydroxy-4-methylpentanoyl)-5-(3-methylbutyl)-1,2,4-cyclopentanetrione | HMDB: HMDB0030107 |
| C16H22O8 | 342.13147 | -0.381 | (-)-Macrosphelide L | KNApSAcK: C00015181 |
| C16H22O8 | 342.13147 | -0.381 | Veranisatin A | HMDB: HMDB0040663 KNApSAcK: C00044374 |
| C16H22O8 | 342.13147 | -0.381 | 4-Hydroxy-3-(2-hydroxyethyl)acetophenone 4-glucoside | HMDB: HMDB0037552 |
| C16H22O8 | 342.13147 | -0.381 | Macrosphelide D | KNApSAcK: C00016156, C00016385 |
| C16H22O8 | 342.13147 | -0.381 | Citrusin D | HMDB: HMDB0039334 KNApSAcK: C00053975 |
| C16H22O8 | 342.13147 | -0.381 | Coniferin | HMDB: HMDB0013682 KEGG: C00761 KNApSAcK: C00002727 |
| C16H22O8 | 342.13147 | -0.381 | Synargentolide B | KNApSAcK: C00044335 |
| C16H22O8 | 342.13147 | -0.381 | Pectinolide D | KNApSAcK: C00036192 |
| C16H22O8 | 342.13147 | -0.381 | Sphalleroside A | HMDB: HMDB0032767 |
| C16H22O8 | 342.13147 | -0.381 | Myzodendrone | HMDB: HMDB0041273 KNApSAcK: C00037535 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 343.13870 |
| Splash: splash10-004i-0119000000-298110041a53d2084eda |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 325.20 | 1234 | 18 | 1000 |
| 324.37 | 385 | 19 | 312 |
| 139.03 | 290 | 204 | 235 |
| 180.79 | 90 | 162 | 72 |
| 293.19 | 83 | 50 | 66 |
| 307.13 | 76 | 36 | 61 |
| 292.16 | 75 | 51 | 61 |
| 219.13 | 75 | 124 | 60 |
| 333.57 | 65 | 10 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.053 | [Flavone]-A(1OH)-B(3OH) | Flavone | 7,2',4',5'-Tetrahydroxyflavone |
| 0.036 | [Isoflavone]-A(1OMe)-B(3OMe) | Isoflavone | 7,2',4',5'-Tetramethoxyisoflavone |
| 0.036 | [Isoflavone]-A(2OMe)-B(2OMe) | Isoflavone | 6,7,3',4'-Tetramethoxyisoflavone |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Zapotin |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Cerrosillin |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | 5,7,2',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Luteolin 5,7,3',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(2OMe) | Flavone | Norartocarpetin 5,7,2',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe) | Flavone | Scutellarein 5,6,7,4'-tetramethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(1OMe) | Flavone | 4',5,7,8-Tetramethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(none) | Flavone | 5,6,7,8-Tetramethoxyflavone |
| 0.000 | [Aurone]-A(2OMe)-B(2OMe) | Aurone | 4,6,3',4'-Tetramethoxyaurone |
| 0.000 | [Chalcone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Chalcone | 3,4-Methylenedioxy-2',4',6'-trimethoxychalcone |
| 0.000 | [alpha-Methyl-beta-oxodihydrochalcone]-A(2OMe)-B(1Oxo, 1Methyl, 1([@@]-Methylenedioxy)) | alpha-Methyl-beta-oxodihydrochalcone | Tinosporinone |
| 0.000 | [Flavanone]-A(1OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavanone | Brosimacutin C |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavone]-A(2OH, 2Methyl)-B(2OMe) | Flavone | 5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(2OMe) | Flavonol | Fisetin tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OMe) | Flavonol | Tetramethylkaempferol |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OMe) | Flavonol | 8-Desmethylkalmiatin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavonol | 6,8-Di-C-methylkaempferol 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(none) | Flavonol | 3,5,6,7-Tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavonol | 3-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(none) | Flavonol | 3,5,7,8-Tetramethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(1OH, 1([2,3:@@]-(6-Oxopyrano)))-B(2OH) | Flavan 3-ol | Phyllocoumarin |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | 6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Dalpatein |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Maximaisoflavone F |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(2OMe) | Isoflavone | 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Isoiriskashmirianin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Dipteryxine |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Squarrosin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Iriskashmirianin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | Iriskumaonin |
| 0.000 | [Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Platycarpanetin |
| 0.000 | [Pterocarpene]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpene | Leiocalycin |
| 0.000 | [Pterocarpene]-A(1OMe)-B(3OMe) | Pterocarpene | Bryacarpene 3 |
| 0.000 | [Rotenone]-A(1OMe)-B(2OMe) | Rotenone | Munduserone |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe) | 4-phenylcoumarin | 7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe) | 4-phenylcoumarin | Sisafolin |