ピーク情報
|
シロイヌナズナ 地上部
pos
|
| Peak #4344 MN MID: SE200_S1_M90 |
| m/z: 371.20638, RT: 46.96, 強度: 24737, ログ強度: 0.77, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 12 |
| DB検索結果: (3 names) 5-Megastigmen-7-yne-3,9-diol 3-glucoside;Dearabinosyl pneumonanthoside;5-Megastigmen-7-yne-3,9-diol 9-glucoside |
| DBごとのヒット数: ALL 3 KN 1 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.091, MS3: 0.367 |
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 |
|---|---|---|---|---|
| C19H30O7 | 370.19915 | -0.127 | (2E,6E,10R)-11-(2',4'-dihydroxy-3'-methylenebutoxy)-10-hydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid methyl ester | LipidMAPS: LMPR0103010032 |
| C19H30O7 | 370.19915 | -0.127 | 5-Megastigmen-7-yne-3,9-diol 3-glucoside | HMDB: HMDB0032842 |
| C19H30O7 | 370.19915 | -0.127 | Dearabinosyl pneumonanthoside | HMDB: HMDB0036822 KNApSAcK: C00040935, C00045497, C00048245, C00048246 |
| C19H30O7 | 370.19915 | -0.127 | (2E,6E,10R)-11-(3â²,4â²-dihydroxy-2â²-methylenebutoxy)-10-hydroxy-3,7,11-trimethyldodeca -2.6-dienoic acid methyl ester | LipidMAPS: LMPR0103010031 |
| C19H30O7 | 370.19915 | -0.127 | 5-Megastigmen-7-yne-3,9-diol 9-glucoside | HMDB: HMDB0032841 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 371.20630 |
| Splash: splash10-0a4i-0395000000-fb05c51f0b65310752be |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 209.12 | 1605 | 162 | 1000 |
| 353.24 | 523 | 18 | 325 |
| 191.15 | 379 | 180 | 235 |
| 357.13 | 128 | 14 | 79 |
| 133.11 | 125 | 238 | 78 |
| 177.10 | 111 | 194 | 68 |
| 339.24 | 108 | 32 | 67 |
| 341.08 | 97 | 30 | 60 |
| 327.17 | 97 | 44 | 60 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.091 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavanone | Exiguaflavanone K |
| 0.063 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Flavone | Torosaflavone D |
| 0.059 | [Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydroflavonol | Dioclenol |
| 0.045 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | 3S-5,7,3'-Trihydroxy-4'-methoxy-5'-prenylisoflavanone |
| 0.045 | [Isoflavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavanone | Sophoraisoflavanone A |
| 0.045 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavanone | 4'-O-Methylkievitone |
| 0.045 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavanone | Diphysolidone |
| 0.043 | [Flavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Flavanone | 5'-Prenylhomoeriodictyol |
| 0.043 | [Flavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Flavanone | 4'-Methylsigmoidin B |
| 0.043 | [Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Dioflorin |
| 0.043 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Flavanone | 5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone |
| 0.043 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | Flavanone | Kenusanone I |
| 0.032 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavonol | Gancaonin P |
| 0.032 | [Flavonol]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | 2'-Prenylrhynchosin |
| 0.032 | [Flavonol]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavonol | Uralenol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(2-Hydroperoxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dehydrocycloxanthohumol hydratechalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone | 2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OMe) | Flavanone | 5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe) | Flavanone | 5,7,4'-Trihydroxy-3'-methoxy-6-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavone]-A(2OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(2OH) | Flavone | Oxidihydroartocarpesin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Dihydroflavonol | 5,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(2OH) | Dihydroflavonol | 7,8-Dihydrooxepinodihydroquercetin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Dihydroflavonol | Shuterone A |
| 0.000 | [Flavonol]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavonol | Glycyrrhiza flavonol A |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavonol | Meliternatin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavone | 6-Methoxypulcherrimin |
| 0.000 | [Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavan 3,4-diol | 4beta-Hydroxyobovatachromene |
| 0.000 | [Flavan 3,4-diol]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavan 3,4-diol | 3,4,5,6-Tetramethoxyfurano[2,3-h]flavan |
| 0.000 | [Flavan 3,4-diol]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavan 3,4-diol | Diplotropin |
| 0.000 | [Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(2OH) | Isoflavone | 2,3-Dehydrokievitol |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Isoflavone | Lunatone |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Isoflavone | Lupinisoflavone B |
| 0.000 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Isoflavone | Lupinisoflavone D |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 2OMe, 1(1,1-Dimethylallyl)) | Isoflavan | Unanisoflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sphenostylin B |
| 0.000 | [6-Oxodehydrorotenone]-A(1OH, 1OMe)-B(2OMe) | 6-Oxodehydrorotenone | Stemonone |
| Level: 3, プリカーサーm/z: 209.08676 |
| Splash: splash10-0006-0900000000-86960b379fdfd749edae |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 191.03 | 171 | 18 | 1000 |
| 149.15 | 34 | 60 | 200 |
| 165.13 | 13 | 44 | 73 |
| 133.12 | 12 | 76 | 68 |
| 134.82 | 12 | 74 | 67 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 353.17764 |
| Splash: splash10-022i-0039000000-57d1683b310454d0b6fa |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 321.28 | 97 | 32 | 1000 |
| 338.25 | 46 | 15 | 473 |
| 335.25 | 40 | 18 | 410 |
| 261.12 | 34 | 92 | 349 |
| 293.07 | 26 | 60 | 269 |
| 310.33 | 16 | 43 | 167 |
| 325.31 | 13 | 28 | 129 |
| 311.02 | 12 | 42 | 120 |
| 307.37 | 11 | 46 | 114 |
| 255.06 | 10 | 98 | 98 |
| 309.10 | 9 | 44 | 91 |
| 289.06 | 8 | 64 | 86 |
| 257.21 | 8 | 96 | 81 |
| 233.29 | 8 | 120 | 78 |
| 120.94 | 6 | 232 | 62 |
| 187.15 | 6 | 166 | 61 |
| 308.35 | 6 | 45 | 60 |
| 265.48 | 5 | 88 | 56 |
| 273.36 | 5 | 80 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.367 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | Gancaonin G |
| 0.367 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Isoflavone | 5-O-Methyllupiwighteone |
| 0.323 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancaonin A |
| 0.323 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Isoflavone | Gancanin M |
| 0.267 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone |
| 0.267 | [Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | Citrusinol |
| 0.208 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol C |
| 0.208 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Citrunobin |
| 0.208 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | 2'-Hydroxychalcone | Pongachalcone II |
| 0.200 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Flavanone | 5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.192 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavone | Cycloartocarpesin |
| 0.192 | [Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Yinyanghuo E |
| 0.185 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Semilicoisoflavone B |
| 0.185 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Licoisoflavone B |
| 0.185 | [Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Sophoraisoflavone A |
| 0.185 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | 5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone |
| 0.185 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone A |
| 0.185 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavone | Parvisoflavone B |
| 0.179 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Ovalichalcone |
| 0.179 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe) | 2'-Hydroxychalcone | 4'-O-Methylbavachalcone |
| 0.172 | [Flavanone]-A(2OMe, 1(C-Prenyl))-B(none) | Flavanone | Candidone |
| 0.083 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan | Edulenanol |
| 0.080 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavone | Artonin U |
| 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 |