ピーク情報
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パセリ 根
pos
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| Peak #7943 MN MID: SE61_S24_M90 |
| m/z: 431.20622, RT: 75.22, 強度: 24536, ログ強度: 0.89, 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: (36 names) Effusanin D;Orthosiphol Y;(-)-Orthosiphol Y;Maoecrystal J;Calcicolin B;(-)-Calcicolin B;Reissantin D;Melleolide C;8beta-Hydroxyproustianol angelicate;Lophanthoidin B;Leucophyllin B;(-)-Leucophyllin B;... |
| DBごとのヒット数: ALL 29 KG 3 KN 24 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.037, MS3: 0.409 |
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 |
|---|---|---|---|---|
| C24H32O8 | 448.20972 | -0.459 | Effusanin D | KNApSAcK: C00039085, C00051475 |
| C24H32O8 | 448.20972 | -0.459 | Orthosiphol Y | KNApSAcK: C00044982 |
| C24H32O8 | 448.20972 | -0.459 | Maoecrystal J | KNApSAcK: C00051469 |
| C24H32O8 | 448.20972 | -0.459 | Calcicolin B | KNApSAcK: C00040906 |
| C24H32O8 | 448.20972 | -0.459 | Reissantin D | KNApSAcK: C00045041 |
| C24H32O8 | 448.20972 | -0.459 | Melleolide C | HMDB: HMDB0037041 KNApSAcK: C00021461 |
| C24H32O8 | 448.20972 | -0.459 | 8beta-Hydroxyproustianol angelicate | KNApSAcK: C00021746 |
| C24H32O8 | 448.20972 | -0.459 | Lophanthoidin B | KNApSAcK: C00051323 |
| C24H32O8 | 448.20972 | -0.459 | Leucophyllin B | KNApSAcK: C00049205 |
| C24H32O8 | 448.20972 | -0.459 | Shikokianin | KNApSAcK: C00037816 |
| C24H32O8 | 448.20972 | -0.459 | Isoasatone | KNApSAcK: C00000594 |
| C24H32O8 | 448.20972 | -0.459 | Jungermatrobrunin A | KNApSAcK: C00039509 |
| C24H32O8 | 448.20972 | -0.459 | Gelomulide T | KNApSAcK: C00033868 |
| C24H32O8 | 448.20972 | -0.459 | Cascarillin G | KNApSAcK: C00045255 |
| C24H32O8 | 448.20972 | -0.459 | Kadlongirin A | KNApSAcK: C00030573 |
| C24H32O8 | 448.20972 | -0.459 | alpha-Caesalpin | KNApSAcK: C00029666 |
| C24H32O8 | 448.20972 | -0.459 | Longirabdolide D | KNApSAcK: C00051313 |
| C24H32O8 | 448.20972 | -0.459 | 17beta-Estradiol 17-(beta-D-glucuronide) | HMDB: HMDB0010317, HMDB0251969 KEGG: C11237 LipidMAPS: LMST05050028 |
| C24H32O8 | 448.20972 | -0.459 | Phorbol 12,13-diacetate | HMDB: HMDB0256453 |
| C24H32O8 | 448.20972 | -0.459 | (-)-Cubebinin | HMDB: HMDB0033273 KNApSAcK: C00041985 |
| C24H32O8 | 448.20972 | -0.459 | Gelomulide Q | KNApSAcK: C00033865 |
| C24H32O8 | 448.20972 | -0.459 | Acetylisomontanolide | KNApSAcK: C00020875 |
| C24H32O8 | 448.20972 | -0.459 | Longikaurin F | KNApSAcK: C00037431 |
| C24H32O8 | 448.20972 | -0.459 | (1S,3S,4S,5R,6x,8x)-1,5-Diacetoxy-8-angeloyloxy-3,4-epoxy-7(14),10-bisaboladien-2-one | HMDB: HMDB0034584 |
| C24H32O8 | 448.20972 | -0.459 | Estradiol-17alpha 3-D-glucuronoside | HMDB: HMDB0006224, HMDB0010322, HMDB0010349 KEGG: C04300, C05503 LipidMAPS: LMST05010007, LMST05010026 |
| C24H32O8 | 448.20972 | -0.459 | Rabdosin B | KNApSAcK: C00031121 |
| C24H32O8 | 448.20972 | -0.459 | Asatone | KNApSAcK: C00000508 |
| C24H32O8 | 448.20972 | -0.459 | Jodrellin A | KEGG: C09121 |
| C25H28O4N4 | 448.21106 | -3.443 | Dactylamide A | KNApSAcK: C00027039 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 431.20593 |
| Splash: splash10-03di-0009300000-ee88ca07c58c68241765 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 413.18 | 5174 | 18 | 1000 |
| 353.19 | 2081 | 78 | 402 |
| 371.33 | 2004 | 60 | 387 |
| 381.34 | 1810 | 50 | 349 |
| 395.27 | 931 | 36 | 179 |
| 355.28 | 691 | 76 | 133 |
| 385.27 | 682 | 46 | 131 |
| 399.24 | 628 | 32 | 121 |
| 369.33 | 612 | 62 | 118 |
| 325.32 | 597 | 106 | 115 |
| 373.23 | 547 | 58 | 105 |
| 321.26 | 537 | 110 | 103 |
| 189.15 | 446 | 242 | 86 |
| 241.15 | 429 | 190 | 82 |
| 199.11 | 390 | 232 | 75 |
| 287.28 | 367 | 144 | 70 |
| 327.19 | 363 | 104 | 70 |
| 313.27 | 357 | 118 | 68 |
| 343.31 | 332 | 88 | 64 |
| 311.25 | 317 | 120 | 61 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.083 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none) | Flavone | Kaplanin |
| 0.083 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe) | Isoflavone | Puerarin 4'-methyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | Isomollupentin 7,4'-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | 7,4'-Di-O-Methylisomollupentin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH) | Flavone | 8-C-Rhamnosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH) | Flavone | Derhamnosylmaysin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin |
| 0.000 | [Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe) | Flavone | Alternanthin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin 4'-methyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>)) | Flavan 3-ol | Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate) |
| Level: 3, プリカーサーm/z: 413.18277 |
| Splash: splash10-0006-0079000000-a77aa596450afca7fdfb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 241.11 | 1051 | 172 | 1000 |
| 395.34 | 293 | 18 | 278 |
| 381.27 | 292 | 32 | 278 |
| 353.30 | 252 | 60 | 239 |
| 385.21 | 203 | 28 | 192 |
| 383.40 | 104 | 30 | 98 |
| 311.28 | 71 | 102 | 67 |
| 367.24 | 68 | 46 | 64 |
| 287.20 | 62 | 126 | 59 |
| 251.12 | 62 | 162 | 58 |
| 325.37 | 57 | 88 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(C-Prenyl)) | Flavonol | Viscosol |
| 0.000 | [4-substituted Flavan 3-ol (4-(2,3,4-Trihydroxyphenyl))]-A(1OH)-B(2OH) | 4-substituted Flavan 3-ol | 4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(2OMe) | Rotenone | Dihydroamorphigenin |
| 0.000 | [Rotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe) | Rotenone | Dalpanol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1(C-Prenyl))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyrot-2'-enonic acid |
| Level: 3, プリカーサーm/z: 353.19247 |
| Splash: splash10-00di-0029000000-73e4e85c4a944973ff87 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 321.26 | 439 | 32 | 1000 |
| 325.30 | 196 | 28 | 447 |
| 293.23 | 92 | 60 | 209 |
| 269.16 | 84 | 84 | 191 |
| 335.25 | 43 | 18 | 97 |
| 309.19 | 29 | 44 | 65 |
| 189.10 | 26 | 164 | 60 |
| 240.97 | 26 | 112 | 59 |
| 283.14 | 25 | 70 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.409 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | Gancaonin G |
| 0.409 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | 5-O-Methyllupiwighteone |
| 0.409 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancaonin A |
| 0.409 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancanin M |
| 0.294 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Semilicoisoflavone B |
| 0.294 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Licoisoflavone B |
| 0.294 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Sophoraisoflavone A |
| 0.294 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | 5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone |
| 0.294 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone A |
| 0.294 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone B |
| 0.167 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone |
| 0.167 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | Citrusinol |
| 0.167 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavone | Cycloartocarpesin |
| 0.167 | [Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo E |
| 0.150 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Ovalichalcone |
| 0.150 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | 2'-Hydroxychalcone | 4'-O-Methylbavachalcone |
| 0.143 | [Flavanone]-A(2OMe, 1(C-Prenyl))-B(none) | Flavanone | Candidone |
| 0.133 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavone | Artonin U |
| 0.118 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol C |
| 0.118 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Citrunobin |
| 0.118 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | 2'-Hydroxychalcone | Pongachalcone II |
| 0.111 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | 5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.067 | [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 |