ピーク情報
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パセリ 根
pos
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| Peak #9458 MN MID: SE61_S24_M90 |
| m/z: 391.26308, RT: 93.98, 強度: 6536, ログ強度: 0.32, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (6 names) QUINGESTANOL ACETATE;iso-Spiculoic acid A;(+)-iso-Spiculoic acid A;Sargachromanol P;(+)-Sargachromanol P;Apo-10'-violaxanthal |
| DBごとのヒット数: ALL 4 KN 3 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.083, MS3: 0.021 |
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 |
|---|---|---|---|---|
| C27H36O3 | 408.26645 | -0.196 | QUINGESTANOL ACETATE | HMDB: HMDB0257040 |
| C27H36O3 | 408.26645 | -0.196 | iso-Spiculoic acid A | KNApSAcK: C00042641 |
| C27H36O3 | 408.26645 | -0.196 | Sargachromanol P | KNApSAcK: C00042962 |
| C27H36O3 | 408.26645 | -0.196 | 10'-Apoviolaxanthal | HMDB: HMDB0039018 KNApSAcK: C00023126 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 391.26312 |
| Splash: splash10-00di-0029000000-9039e89f03f3bcc0d6c8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 373.31 | 12006 | 18 | 1000 |
| 277.19 | 3276 | 114 | 272 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.083 | [Flavanone]-A(1OH, 2OMe)-B(3OMe) | Flavanone | 5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone |
| 0.059 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavone | Kanzonol E |
| 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 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 3,5,3'-Trihydroxy-6,7,4',5'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 3,5,4'-Trihydroxy-6,7,8,3'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 3,5,3'-Trihydroxy-6,7,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(2OMe) | Flavonol | 3,5,8-Trihydroxy-6,7,3',4'-tetramethoxyflavone |
| 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: 373.29050 |
| Splash: splash10-004j-0091000000-074100fe4298387417cf |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 275.25 | 1131 | 98 | 1000 |
| 345.26 | 336 | 28 | 297 |
| 289.24 | 321 | 84 | 284 |
| 274.13 | 269 | 99 | 237 |
| 247.28 | 252 | 126 | 222 |
| 288.19 | 219 | 85 | 193 |
| 259.19 | 196 | 114 | 173 |
| 273.19 | 190 | 100 | 168 |
| 355.38 | 181 | 18 | 159 |
| 219.17 | 163 | 154 | 143 |
| 221.04 | 154 | 152 | 136 |
| 261.34 | 153 | 112 | 135 |
| 249.14 | 141 | 124 | 125 |
| 232.20 | 140 | 141 | 124 |
| 230.94 | 131 | 142 | 116 |
| 303.28 | 131 | 70 | 116 |
| 205.08 | 122 | 168 | 107 |
| 233.18 | 104 | 140 | 92 |
| 246.28 | 102 | 127 | 90 |
| 277.27 | 100 | 96 | 88 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.143 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,3',4',5'-Pentamethoxyisoflavone |
| 0.143 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',3',4'-Pentamethoxyisoflavone |
| 0.143 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',4',5'-Pentamethoxyisoflavone |
| 0.143 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | Robustigenin methyl ether |
| 0.103 | [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 |
| Level: 3, プリカーサーm/z: 277.13647 |
| Splash: splash10-00di-0190000000-f6b626331a34202aba30 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 222.11 | 380 | 55 | 1000 |
| 221.09 | 244 | 56 | 642 |
| 262.21 | 133 | 15 | 350 |
| 195.07 | 123 | 82 | 324 |
| 220.17 | 122 | 57 | 320 |
| 235.19 | 107 | 42 | 282 |
| 234.18 | 64 | 43 | 169 |
| 207.14 | 59 | 70 | 156 |
| 219.06 | 56 | 58 | 146 |
| 249.11 | 55 | 28 | 145 |
| 193.07 | 47 | 84 | 122 |
| 223.27 | 46 | 54 | 121 |
| 206.18 | 43 | 71 | 112 |
| 205.27 | 41 | 72 | 106 |
| 179.10 | 39 | 98 | 103 |
| 196.15 | 27 | 81 | 69 |
| 209.10 | 26 | 68 | 69 |
| 233.18 | 23 | 44 | 60 |
| 181.15 | 23 | 96 | 60 |
| 208.23 | 22 | 69 | 57 |
FlavonoidSearch結果
ヒットなし