ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #4173 MN MID: SE205_S08_M90 |
| m/z: 441.17539, RT: 46.59, 強度: 320473, ログ強度: 1.91, アダクト: [M+H]+, [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (11 names) [3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid;Cichorioside I;gamma-CEHC glucuronide... |
| DBごとのヒット数: ALL 10 KN 9 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.118 |
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 |
|---|---|---|---|---|
| C21H28O10 | 440.16825 | -0.293 | [3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid | KNApSAcK: C00012389 |
| C21H28O10 | 440.16825 | -0.293 | Cichorioside I | HMDB: HMDB0302055 KNApSAcK: C00029955 |
| C21H28O10 | 440.16825 | -0.293 | gamma-CEHC glucuronide | HMDB: HMDB0242175 |
| C21H28O10 | 440.16825 | -0.293 | Dictamnusine | KNApSAcK: C00039017 |
| C21H28O10 | 440.16825 | -0.293 | Cichorioside G | HMDB: HMDB0302053 KNApSAcK: C00029953 |
| C21H28O10 | 440.16825 | -0.293 | Taraxafolide | KNApSAcK: C00031403 |
| C21H28O10 | 440.16825 | -0.293 | Cichorioside H | HMDB: HMDB0302054 KNApSAcK: C00029954 |
| C21H28O10 | 440.16825 | -0.293 | Cichorioside F | HMDB: HMDB0302052 KNApSAcK: C00029952 |
| C21H28O10 | 440.16825 | -0.293 | Cichorioside B | HMDB: HMDB0302050 KNApSAcK: C00029949 |
| C21H28O10 | 440.16825 | -0.293 | 15-O-beta-D-Glucopyranosylurospermal A | KNApSAcK: C00036420 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 441.17511 |
| Splash: splash10-00di-0419000000-d8ffd48ed2a62228892e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 324.97 | 72312 | 116 | 1000 |
| 162.91 | 29784 | 278 | 411 |
| 278.99 | 13846 | 162 | 191 |
| 180.94 | 7261 | 260 | 100 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavanone]-A(2OH, 2(C-Prenyl))-B(3OH) | Flavanone | Kenusanone B |
| 0.000 | [Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(2OH) | Dihydroflavonol | Kushenol L |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl)) | Dihydrochalcone | 3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH) | Dihydrochalcone | 3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(3-Hydroxy-3-methylbutyl)) | Flavanone | 5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone |
| 0.000 | [Flavanone]-A(2([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)) )-B(1OH) | Flavanone | Lonchocarpol E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH) | Flavanone | 2'',3''-Dihydroxylupinifolin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH) | Flavanone | Dorsmanin H |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Flavanone | Dorsmanin F |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Flavanone | Dorsmanin G |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Abyssinoflavanone V |
| 0.000 | [Flavanone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Abyssinoflavanone VI |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(3OH) | Flavanone | Sophoraflavanone D |
| 0.000 | [Flavanone]-A(2OH, 1Geranyl)-B(3OH) | Flavanone | Sophoraflavanone E |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(3OH) | Flavanone | Exiguaflavanone C |
| 0.000 | [Flavanone]-A(2OH, 1Lavandulyl)-B(3OH) | Flavanone | Exiguaflavanone G |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Geranyl)-B(2OH) | Dihydroflavonol | Diplacol |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Lavandulyl)-B(2OH) | Dihydroflavonol | Kushenol X |
| 0.000 | [Flavan 3-ol]-A(1OH)-B(3OH) | Flavan 3-ol | 6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(1OH, 1([3,4:@@]-(5,6,7-Trihydroxy-1-oxoisochromene))) | Flavan 3-ol | Amurensisin |
| 0.000 | [12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxyerythynone |
| Level: 3, プリカーサーm/z: 324.88516 |
| Splash: splash10-03di-0901000000-14333448e6a852538227 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 162.95 | 23664 | 162 | 1000 |
| 307.12 | 3455 | 18 | 145 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.118 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.067 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.067 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.067 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.067 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.056 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.056 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.056 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.056 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.056 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | Phaseollidin |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Chalcone | Crotmadine |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin E |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin F |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dorsmanin A |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none) | Dihydrochalcone | 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone |
| 0.000 | [Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | 7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone |
| 0.000 | [Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe) | Isoflavanone | Neoraunone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavan | Crotmarine |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavan | Glabridin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Phaseollinisoflavan |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe) | Pterocarpan | Ambonane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Neobanol |