ピーク情報
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パセリ 根
pos
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| Peak #3587 MN MID: SE61_S24_M90 |
| m/z: 521.20119, RT: 38.15, 強度: 4513, ログ強度: 0.16, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 14 |
| DB検索結果: (14 names) Baenzigeroside A;(-)-Baenzigeroside A;(-)-Pinoresinol;Styraxlignolide C;(-)-Styraxlignolide C;Alaschanioside C;Styraxlignolide D;(-)-Styraxlignolide D;Matairesinoside;Cypellocarpin C;(-)-Cypellocarpin... |
| DBごとのヒット数: ALL 9 KG 2 KN 7 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C26H32O11 | 520.19446 | -1.060 | Baenzigeroside A | KNApSAcK: C00032753 |
| C26H32O11 | 520.19446 | -1.060 | (-)-Pinoresinol glucoside | HMDB: HMDB0301807 KEGG: C17529 KNApSAcK: C00031031, C00031451 |
| C26H32O11 | 520.19446 | -1.060 | Styraxlignolide C | KNApSAcK: C00043932 |
| C26H32O11 | 520.19446 | -1.060 | Alaschanioside C | HMDB: HMDB0040636 KNApSAcK: C00033622, C00036351 |
| C26H32O11 | 520.19446 | -1.060 | Matairesinoside | HMDB: HMDB0303466 KNApSAcK: C00032004, C00043934 |
| C26H32O11 | 520.19446 | -1.060 | Styraxlignolide D | KNApSAcK: C00043933 |
| C26H32O11 | 520.19446 | -1.060 | Cypellocarpin C | KNApSAcK: C00046708, C00047830, C00048374 |
| C26H32O11 | 520.19446 | -1.060 | Tetracentronside B | KNApSAcK: C00037901 |
| C26H32O11 | 520.19446 | -1.060 | Brusatol | HMDB: HMDB0243532 KEGG: C08754 KNApSAcK: C00003704 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 521.20111 |
| Splash: splash10-0006-0109010000-034ec9ec6d5b77d67ff5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 342.89 | 1029 | 178 | 1000 |
| 180.80 | 216 | 340 | 209 |
| 342.25 | 150 | 179 | 145 |
| 504.31 | 139 | 17 | 134 |
| 503.39 | 135 | 18 | 131 |
| 341.41 | 98 | 180 | 95 |
| 223.10 | 75 | 298 | 72 |
| 162.94 | 72 | 358 | 70 |
| 324.99 | 69 | 196 | 66 |
| 345.30 | 58 | 176 | 56 |
| 273.13 | 54 | 248 | 52 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 342.77734 |
| Splash: splash10-000i-0941000000-9179c667d99e424fa4a7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 138.93 | 10 | 204 | 1000 |
| 293.72 | 5 | 49 | 569 |
| 199.12 | 4 | 144 | 435 |
| 324.46 | 3 | 18 | 359 |
| 138.05 | 2 | 205 | 254 |
| 228.05 | 2 | 115 | 190 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1OH)-B(3OH) | Flavone | 7,2',4',5'-Tetrahydroxyflavone |
| 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 | [Isoflavone]-A(1OMe)-B(3OMe) | Isoflavone | 7,2',4',5'-Tetramethoxyisoflavone |
| 0.000 | [Isoflavone]-A(2OMe)-B(2OMe) | Isoflavone | 6,7,3',4'-Tetramethoxyisoflavone |
| 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 |