ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #8933 MN MID: SE205_S08_M90 |
| m/z: 403.24805, RT: 93.37, 強度: 8626, 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）: 2 |
| DB検索結果: (12 names) Briarellin D;9alpha,14alpha-Diacetoxy-2beta,3alpha-dihydroxy-1(15),8(19)-trinervitadiene;(+)-9alpha,14alpha-Diacetoxy-2beta,3alpha-dihydroxy-1(15),8(19)-trinervitadiene;Hamachilobene B;Melissoidesin F... |
| DBごとのヒット数: ALL 8 KN 7 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.091, MS3: 0.064 |
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 |
|---|---|---|---|---|
| C24H36O6 | 420.25119 | 0.348 | Briarellin D | KNApSAcK: C00044579 |
| C24H36O6 | 420.25119 | 0.348 | 9alpha,14alpha-Diacetoxy-2beta,3alpha-dihydroxy-1(15),8(19)-trinervitadiene | KNApSAcK: C00042183 |
| C24H36O6 | 420.25119 | 0.348 | Hamachilobene B | KNApSAcK: C00022351 |
| C24H36O6 | 420.25119 | 0.348 | Melissoidesin F | KNApSAcK: C00043700 |
| C24H36O6 | 420.25119 | 0.348 | Leoheteronone A | KNApSAcK: C00031966 |
| C24H36O6 | 420.25119 | 0.348 | 2beta,3alpha-Diacetoxy-11beta,14alpha-dihydroxy-1(15),8(19)-trinervitadiene | KNApSAcK: C00042090 |
| C24H36O6 | 420.25119 | 0.348 | Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate | HMDB: HMDB0032099 |
| C24H36O6 | 420.25119 | 0.348 | Methyl ent-16-acetoxy-6,13E-labdadien-15,17-dioate | KNApSAcK: C00022499 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 403.24753 |
| Splash: splash10-000i-0009000000-22616fae7ce8b28acb27 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 385.27 | 18911 | 18 | 1000 |
| 386.29 | 2830 | 17 | 149 |
| 152.99 | 1568 | 250 | 82 |
| 373.34 | 1365 | 30 | 72 |
| 303.17 | 1032 | 100 | 54 |
| 204.94 | 956 | 198 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.091 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',5',6'-Hexamethoxyflavone |
| 0.091 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,8,3',4',5'-Hexamethoxyflavone |
| 0.091 | [Flavone]-A(2OMe)-B(4OMe) | Flavone | 5,6,2',3',4',6'-Hexamethoxyflavone |
| 0.091 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | 5,6,7,3',4',5'-Hexamethoxyflavone |
| 0.091 | [Flavone]-A(3OMe)-B(3OMe) | Flavone | Bannamurpanisin |
| 0.091 | [Flavone]-A(4OMe)-B(2OMe) | Flavone | Nobiletin |
| 0.059 | [Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(2OH) | Dihydroflavonol | Paraibanol |
| 0.056 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | 2'-Hydroxychalcone | 8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(2OMe) | CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone | Antiarone K |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none) | Flavanone | Calomelanol I |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH) | Flavanone | Calomelanol H |
| 0.000 | [Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH) | Flavone | Cerarvensin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Isomollupentin |
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH) | Flavone | Mollupentin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | 7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Cinnamoyl)) | Dihydroflavonol | Pinobanksin 3-O-cinnamate |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | Myricetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(3OMe) | Flavonol | 3,5,7,2',4',5'-Hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Quercetagetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(2OMe) | Flavonol | Gossypetin hexamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1OMe) | Flavonol | 3,5,6,7,8,4'-Hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Demethylmelibentin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(2OMe, 1(3-hydroxy-3-methylbutyl)) | Pterocarpan-6a-ol | Sphenostylin D |
| 0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Inophyllum E |
| 0.000 | [4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | 4-phenylcoumarin | Tomentolide A |
| Level: 3, プリカーサーm/z: 385.27225 |
| Splash: splash10-0ldi-0159000000-20fabbcf2c188ecd293b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 357.26 | 933 | 28 | 1000 |
| 303.13 | 767 | 82 | 821 |
| 317.17 | 733 | 68 | 785 |
| 152.99 | 715 | 232 | 766 |
| 289.15 | 647 | 96 | 693 |
| 329.29 | 574 | 56 | 615 |
| 367.28 | 545 | 18 | 583 |
| 231.00 | 493 | 154 | 528 |
| 205.01 | 491 | 180 | 526 |
| 315.25 | 378 | 70 | 405 |
| 275.17 | 327 | 110 | 350 |
| 343.26 | 310 | 42 | 331 |
| 138.98 | 309 | 246 | 330 |
| 245.05 | 226 | 140 | 242 |
| 261.10 | 215 | 124 | 229 |
| 217.08 | 163 | 168 | 174 |
| 247.04 | 145 | 138 | 155 |
| 358.32 | 143 | 27 | 153 |
| 331.30 | 135 | 54 | 144 |
| 301.09 | 133 | 84 | 143 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.313 | [Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Piscerythrone |
| 0.313 | [Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl)) | Isoflavone | Piscidone |
| 0.296 | [Flavanone]-A(2OH)-B(2OMe, 1(C-Prenyl)) | Flavanone | 5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone |
| 0.147 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | Gancaonin P 3'-methyl ether |
| 0.147 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 8-Prenylquercetin 4'-methyl ether |
| 0.077 | [Dihydroflavonol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Dihydroflavonol | 3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone |
| 0.037 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Dihydroflavonol | Eriotrinol |
| 0.000 | [CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH) | CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone | Oxyisocyclointegrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | Uralene |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavonol | 5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | 5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4,6,6-Dimethyldihydropyrano)))-B(2OH) | Flavonol | 4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone |
| 0.000 | [Isoflavone]-A(2OH, Hydroxyprenyl)-B(1OH, 1OMe) | Isoflavone | Gancaonin D |
| 0.000 | [Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(1,1-Dimethylallyl)) | Isoflavanone | Echinoisosophoranone |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone-3-ol | Sophoronol |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl)) | Coumestan | Mirificoumestan hydrate |
| 0.000 | [3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6-Hydroxymethyl-6-methyldihydropyrano)))-B(2OH) | 3-Phenylcoumarin | Licopyranocoumarin |
| Level: 3, プリカーサーm/z: 386.29199 |
| Splash: splash10-0ldi-0039000000-a263f6bad746c66f92f0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 358.24 | 201 | 28 | 1000 |
| 368.20 | 188 | 18 | 934 |
| 318.13 | 145 | 68 | 721 |
| 289.98 | 127 | 96 | 632 |
| 304.26 | 105 | 82 | 521 |
| 153.00 | 70 | 233 | 350 |
| 344.24 | 55 | 42 | 274 |
| 276.06 | 50 | 110 | 247 |
| 329.58 | 48 | 57 | 240 |
| 303.08 | 47 | 83 | 231 |
| 316.06 | 46 | 70 | 228 |
| 218.08 | 45 | 168 | 223 |
| 206.18 | 44 | 180 | 219 |
| 205.00 | 39 | 181 | 194 |
| 262.21 | 37 | 124 | 185 |
| 330.40 | 37 | 56 | 183 |
| 343.54 | 35 | 43 | 174 |
| 261.12 | 30 | 125 | 147 |
| 231.49 | 25 | 155 | 125 |
| 190.19 | 24 | 196 | 120 |
FlavonoidSearch結果
ヒットなし
関連ピーク情報
| ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
|---|