ピーク情報
|
パセリ 葉
pos
|
| Peak #9877 MN MID: SE61_S21_M90 |
| m/z: 391.26293, RT: 88.54, 強度: 2067, ログ強度: -0.27, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5 |
| DB検索結果: 1-(4-Hydroxyphenyl)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-one |
| DBごとのヒット数: ALL 1 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.040, MS3: 0.011 |
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 |
|---|---|---|---|---|
| C27H34O2 | 390.25588 | -0.586 | 1-(4-Hydroxyphenyl)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-one | HMDB: HMDB0257688 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 391.26300 |
| Splash: splash10-00di-0069000000-dfc97adc71fa4c6bd6ac |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 373.33 | 1539 | 18 | 1000 |
| 363.34 | 241 | 28 | 156 |
| 295.29 | 237 | 96 | 154 |
| 149.04 | 228 | 242 | 147 |
| 251.08 | 202 | 140 | 131 |
| 335.32 | 180 | 56 | 116 |
| 281.26 | 178 | 110 | 115 |
| 279.14 | 175 | 112 | 113 |
| 235.15 | 174 | 156 | 113 |
| 265.14 | 174 | 126 | 112 |
| 345.36 | 149 | 46 | 96 |
| 211.21 | 146 | 180 | 94 |
| 307.21 | 138 | 84 | 89 |
| 282.27 | 136 | 109 | 88 |
| 275.35 | 131 | 116 | 85 |
| 263.21 | 129 | 128 | 83 |
| 209.18 | 127 | 182 | 82 |
| 317.27 | 124 | 74 | 80 |
| 293.16 | 124 | 98 | 80 |
| 355.36 | 124 | 36 | 80 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.161 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavone | Kanzonol E |
| 0.091 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 3,5,3'-Trihydroxy-6,7,4',5'-tetramethoxyflavone |
| 0.059 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 3,5,4'-Trihydroxy-6,7,8,3'-tetramethoxyflavone |
| 0.059 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 3,5,3'-Trihydroxy-6,7,8,4'-tetramethoxyflavone |
| 0.059 | [Flavonol]-A(2OH, 2OMe)-B(2OMe) | Flavonol | 3,5,8-Trihydroxy-6,7,3',4'-tetramethoxyflavone |
| 0.033 | [Flavanone]-A(1OH, 2OMe)-B(3OMe) | Flavanone | 5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavone | Gardenin E |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavone | Scaposin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavone | Agecorynin D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | 2'-Hydroxychalcone | Lespeol |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Paratocarpin C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Anthyllisone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Paratocarpin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([3,4,5:@@@]-(1,7,7-Trimethyl-2,6-dioxa-tricyclo[6.2.2.0(4,9)]dodecene)))-B(none) | 2'-Hydroxychalcone | Rubranine |
| 0.000 | [Flavanone]-A(1OH)-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinone III |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a5 |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Dinklagin A |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Flavanone | Shinflavanone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Fulvinervin A |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,3',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Apuleitrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,5'-Trihydroxy-3,6,2',4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5-O-Demethylapulein |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,6,5'-Trihydroxy-3,7,2',4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,7,8,4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Hibiscetin 3,8,3',4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,2',4'-Trihydroxy-3,7,8,5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH) | Flavonol | 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,8,3'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,7,3'-Trihydroxy-3,6,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH) | Flavonol | 5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Hispaglabridin B |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(3OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Abruquinone B |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Folitenol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Folinin |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Erybraedin D |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Erybraedin B |
| 0.000 | [Pterocarpene]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpene | Erycristagallin |
| 0.000 | [6,12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe) | 6,12a-Hydroxyrotenone | Clitoriacetal |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Butyroyl)-B(none) | 4-phenylcoumarin | 6-Butyryl-5-hydroxy-4-phenylseselin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Isobutyroyl)-B(none) | 4-phenylcoumarin | Mesuagin |
| Level: 3, プリカーサーm/z: 373.31784 |
| Splash: splash10-0pxs-0179000000-fbb0165cf6e4b8a46c14 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 355.27 | 68 | 18 | 1000 |
| 345.43 | 35 | 28 | 512 |
| 303.31 | 29 | 70 | 427 |
| 317.32 | 27 | 56 | 400 |
| 265.34 | 25 | 108 | 366 |
| 275.38 | 25 | 98 | 360 |
| 251.13 | 21 | 122 | 303 |
| 278.86 | 20 | 94 | 289 |
| 223.07 | 19 | 150 | 272 |
| 185.02 | 15 | 188 | 226 |
| 344.43 | 15 | 29 | 214 |
| 331.41 | 14 | 42 | 208 |
| 197.17 | 14 | 176 | 207 |
| 263.07 | 14 | 110 | 203 |
| 326.71 | 14 | 47 | 200 |
| 247.16 | 13 | 126 | 194 |
| 273.34 | 13 | 100 | 193 |
| 289.27 | 13 | 84 | 187 |
| 274.35 | 12 | 99 | 180 |
| 358.20 | 12 | 15 | 174 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,3',4',5'-Pentamethoxyisoflavone |
| 0.250 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',3',4'-Pentamethoxyisoflavone |
| 0.250 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',4',5'-Pentamethoxyisoflavone |
| 0.250 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | Robustigenin methyl ether |
| 0.185 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH) | Dihydroflavonol | 6-Prenyltaxifolin |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Prosogerin C |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 7,8,3',4',5'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,6,2',3',6'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Cerosilin B |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,6,2',3',4'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Tricetin 5,7,3',4',5'-pentamethyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,7,2',3',4'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,7,2',4',6'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(2OMe) | Flavone | Sinensetin |
| 0.000 | [Flavone]-A(3OMe)-B(2OMe) | Flavone | Isosinensetin |
| 0.000 | [Flavone]-A(4OMe)-B(1OMe) | Flavone | Tangeretin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano))) | 2'-Hydroxychalcone | Lophirone E |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(1([@@]-Methylenedioxy))-B(3OMe) | beta-Hydroxy(or Oxodihydro)chalcone | 3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone |
| 0.000 | [Flavanone]-A(1OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano))) | Flavanone | 7-Hydroxy-(5-(p-Hydroxyphenyl)furano)[2,3:4',3'])flavanone |
| 0.000 | [Flavanone]-A(2OH, 1((E)-4-Hydroxyprenyl))-B(2OH) | Flavanone | Licoleafol |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Sigmoidin D |
| 0.000 | [3-substituted Flavone (3-(3-Methylbutyl))]-A(2OH)-B(3OH) | 3-substituted Flavone | Asplenetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OMe) | Flavonol | Auranetin |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(2OMe) | Flavonol | 3,5,7,2',6'-Pentamethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavonol | 6-(3-hydroxy-3-methylbutyl)kaempferol |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavonol | Noricaritin |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(2OMe) | Flavonol | Quercetin pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(2OMe) | Flavonol | 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melisimplin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OMe) | Flavonol | Herbacetin pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(none) | Flavonol | 3,5,6,7,8-Pentamethoxyflavone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3,4-diol | 3,4,7,4'-Tetrahydroxy-5-methoxy-8-prenylflavan |
| 0.000 | [Isoflavone]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(2OH) | Isoflavone | 2,3-Dehydrokievitone hydrate |
| 0.000 | [Isoflavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(2OH) | Isoflavanone | Kievitol |
| 0.000 | [6-Hydroxydehydrorotenone]-A(3OH)-B(1OH)-C(1(O-Acetyl)) | 6-Hydroxydehydrorotenone | 3,6,9,10,11-Pentahydroxydehydrorotenone 6-O-acetate |
| 0.000 | [6-Hydroxydehydrorotenone]-A(1OH, 1OMe)-B(2OMe) | 6-Hydroxydehydrorotenone | Stemonal |