ピーク情報
|
パセリ 根
pos
|
| Peak #10032 MN MID: SE61_S24_M90 |
| m/z: 467.27934, RT: 100.40, 強度: 21664, ログ強度: 0.84, 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: (6 names) 3-oxo-18-acetoxywitha-1,4,24-trienolide;Chabrolonaphthoquinone B;(-)-Chabrolonaphthoquinone B;Kleinioxanthrone 2;(-)-Kleinioxanthrone 2;Ramiflorine A |
| DBごとのヒット数: ALL 4 KN 3 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.115, MS3: 0.195 |
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 |
|---|---|---|---|---|
| C29H38O5 | 466.27192 | 0.295 | 3-oxo-18-acetoxywitha-1,4,24-trienolide | LipidMAPS: LMST01160003 |
| C29H38O5 | 466.27192 | 0.295 | Chabrolonaphthoquinone B | KNApSAcK: C00042380 |
| C29H38O5 | 466.27192 | 0.295 | Kleinioxanthrone 2 | KNApSAcK: C00037387 |
| C30H34ON4 | 466.27326 | -2.573 | Ramiflorine A | KNApSAcK: C00028894, C00028895 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 467.27936 |
| Splash: splash10-0udi-0009200000-9998da1ee10f6be68177 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 353.17 | 45903 | 114 | 1000 |
| 421.36 | 5490 | 46 | 119 |
| 449.29 | 5288 | 18 | 115 |
| 439.34 | 2790 | 28 | 60 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.115 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 2OMe, 1(C-Prenyl)) | Isoflavone | Pumilaisoflavone C |
| 0.000 | [Flavanone]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxy-m-methoxyphenyl)-dihydro[1,4]dioxinyl))) | Flavanone | Silandrin |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(4-Hydroxymethyl-5-(p-hydroxy-m-methoxyphenyl)furano))) | Flavanone | Silyhermin |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(4-Hydroxymethyl-5-(p-hydroxy-m-methoxyphenyl)furano))) | Flavanone | Neosilyhermin A |
| 0.000 | [UBR-type derivative / 3'-Oxocyclohexa-6'-enyl-type Flavanone]-A(2OH)-B(1OH, 1(m-((4-Hydroxy-3-methoxyphenyl)-([5,4;n,o]-tetrahydrofuran-3-yl)-methyl))) | UBR-type derivative / 3'-Oxocyclohexa-6'-enyl-type Flavanone | Silymonin |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(4-(1,2-diacetoxy-2-methylpropyl)-dihydrofurano)))-B(none) | Flavone | Polystachin (flavone) |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Glu))-B(2OH) | Dihydroflavonol | 6-C-Glucosyltaxifolin |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1(1(O-(2-Hydroxyethyl))-[2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Isoflavone | Eriotriochin |
| Level: 3, プリカーサーm/z: 353.21185 |
| Splash: splash10-000i-0019000000-eb603f0b8292e6eff7c5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 335.14 | 21648 | 18 | 1000 |
| 303.19 | 3203 | 50 | 147 |
| 307.04 | 2203 | 46 | 101 |
| 275.20 | 1882 | 78 | 86 |
| 286.24 | 1208 | 67 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.133 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavone | Cycloartocarpesin |
| 0.133 | [Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo E |
| 0.125 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Semilicoisoflavone B |
| 0.125 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Licoisoflavone B |
| 0.125 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Sophoraisoflavone A |
| 0.125 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | 5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone |
| 0.125 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone A |
| 0.125 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone B |
| 0.118 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Ovalichalcone |
| 0.091 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone |
| 0.091 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | Citrusinol |
| 0.080 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | Gancaonin G |
| 0.080 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | 5-O-Methyllupiwighteone |
| 0.080 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancaonin A |
| 0.080 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancanin M |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol C |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Citrunobin |
| 0.071 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | 2'-Hydroxychalcone | Pongachalcone II |
| 0.067 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | 5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.056 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | 2'-Hydroxychalcone | 4'-O-Methylbavachalcone |
| 0.053 | [Flavanone]-A(2OMe, 1(C-Prenyl))-B(none) | Flavanone | Candidone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavone | Artonin U |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan | Edulenanol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | 2'-Hydroxychalcone | Tephrosone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4,5-Epoxy-6,6-dimethyl-4,5-dihydropyrano)))-B(none) | 2'-Hydroxychalcone | Epoxyobovatachalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Demethylpraecanson B |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | Pongagallone A |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Flavanone | Ovaliflavanone C |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclocommunol |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavonol | 3,5,6-Trimethoxyfurano[2,3:7,8]flavone |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavan 4-ol | Methylhildgardtol A |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Methylhildgardtol B |
| 0.000 | [Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Xuulanin |
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavone | Crotarin |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Isoflavone | Lupinisoflavone A |
| 0.000 | [Isoflavan]-A(1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Leiocin |
| 0.000 | [isoflavene]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | isoflavene | Neorauflavene |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Edunol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautane |
| 0.000 | [Coumestan]-A(1OH, 1(3-Methyl-2,3-epoxybutyl))-B(1OH) | Coumestan | Psoralidin oxide |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Coumestan | Bavacoumestan B |
| 0.000 | [Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Coumestan | Bavacoumestan A |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Elliptone |
| 0.000 | [Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenone | Erosone |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxydolineone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(1OH, 1(C-Prenyl)) | Coumaranochromon | Lupinalbin D |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH) | Coumaranochromon | Lupinalbin B |
| Level: 3, プリカーサーm/z: 421.30814 |
| Splash: splash10-0abl-0009200000-da5d0cb7f79af8927825 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 406.40 | 551 | 15 | 1000 |
| 337.27 | 366 | 84 | 664 |
| 322.41 | 291 | 99 | 528 |
| 323.23 | 239 | 98 | 434 |
| 391.40 | 226 | 30 | 409 |
| 390.56 | 163 | 31 | 295 |
| 360.24 | 147 | 61 | 266 |
| 377.50 | 130 | 44 | 236 |
| 389.44 | 89 | 32 | 162 |
| 336.14 | 87 | 85 | 157 |
| 309.34 | 86 | 112 | 156 |
| 321.39 | 85 | 100 | 154 |
| 350.21 | 82 | 71 | 149 |
| 374.35 | 53 | 47 | 95 |
| 294.27 | 53 | 127 | 95 |
| 317.37 | 51 | 104 | 93 |
| 393.68 | 51 | 28 | 93 |
| 403.34 | 51 | 18 | 92 |
| 307.21 | 49 | 114 | 89 |
| 308.38 | 47 | 113 | 85 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.235 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Isoflavone | 7-O-Methylisolupalbigenin |
| 0.091 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | 3-Demethyldigicitrin |
| 0.034 | [Flavanone]-A(2OH)-B(2([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sanggenol O |
| 0.000 | [Flavanone]-A(1OH, 2(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Flavanone | Ovaliflavanone D |
| 0.000 | [Flavanone]-A(2OH)-B(1OMe, 1(C-Prenyl), 1(3-methylbutadienyl)) | Flavanone | Burttinonedehydrate |
| 0.000 | [Flavone]-A(1([2,3:@@]-(8,8-Dimethyl-9-acetoxy-6-oxo-1,7-dioxaspiro[4,4]non-2-ene)))-B(none) | Flavone | Glabratephrin |
| 0.000 | [Flavone]-A(2OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none) | Flavone | 5-O-Methylhoslundin |
| 0.000 | [Flavone]-A(2OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-2-yl))-B(none) | Flavone | Oppositin |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(4-(2-Acetoxy-2-methylpropylidene)-5-oxofurano)))-B(none) | Flavone | Tephrorianin |
| 0.000 | [Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl)) | Flavone | Yinyanghuo A |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 3-substituted Flavone | Morusin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | Flavone | Brosimone G |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | 3-substituted Flavone | Kuwanon B |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | 3-substituted Flavone | Kuwanon A |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH) | Flavone | Australone A |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Brosimone I |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cyclomulberrin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Isocyclomulberrin |
| 0.000 | [Flavonol]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Macaflavone I |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavonol | 5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavonol | 5,4',5'-Trihydroxy-3,6,7,8,2'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,8,2',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 5,7,2'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone |
| 0.000 | [Flavan 3-ol]-A(1OMe, 1([7,8:@@]-(5,6-Dihydro-2-hydroxynaphthaleno)))-B(1OH, 1OMe) | Flavan 3-ol | Shanciol |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexone C |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Ulexin D |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Isoflavone | Euchrenone b8 |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Isoflavone | Euchrenone b9 |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Pomiferin |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Auriculasin |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Gancaonin H |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Angustone B |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl)) | Isoflavone | Angustone C |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Auriculatin |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavan | Nitidulan |
| 0.000 | [Pterocarpan]-A(1OH, 1Geranyl)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Nitiducol |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Pterocarpan | Gangetin |
| 0.000 | [Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Coumaranochromon | Lupinalbin F |
| 0.000 | [alpha-Phenylcoumarinic acid]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none) | alpha-Phenylcoumarinic acid | Calophyllic acid |