ピーク情報
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ポプラ, 幼植物, 地上部
pos
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| Peak #8875 MN MID: SE205_S08_M90 |
| m/z: 381.26356, RT: 91.66, 強度: 165845, ログ強度: 1.62, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (26 names) 20a,20b-dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid;Sartol acetate B;15-Hydroxy-16-acetoxy-ent-clerod-3-en-18-oic acid;16,16-Dimethylprostaglandin E2;1a,1b-dihomo-9-oxo-11R,15S-dihydroxy-... |
| DBごとのヒット数: ALL 23 KN 9 HM 4 LM 10 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.250 |
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 |
|---|---|---|---|---|
| C22H36O5 | 380.25627 | 0.020 | 20a,20b-dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid | HMDB: HMDB0245563 LipidMAPS: LMFA03010174 |
| C22H36O5 | 380.25627 | 0.020 | Sartol acetate B | KNApSAcK: C00049581 |
| C22H36O5 | 380.25627 | 0.020 | 15-Hydroxy-16-acetoxy-ent-clerod-3-en-18-oic acid | KNApSAcK: C00029400 |
| C22H36O5 | 380.25627 | 0.020 | 16,16-Dimethylprostaglandin E2 | HMDB: HMDB0244730 LipidMAPS: LMFA03010065 |
| C22H36O5 | 380.25627 | 0.020 | 1a,1b-dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid | LipidMAPS: LMFA03010155 |
| C22H36O5 | 380.25627 | 0.020 | ent-3alpha-acetoxy-16beta,17,18-trihydroxyatisane | LipidMAPS: LMPR0104150007 |
| C22H36O5 | 380.25627 | 0.020 | Pacificin G | KNApSAcK: C00042819 |
| C22H36O5 | 380.25627 | 0.020 | 19-Acetoxy-12,20-dihydroxygeranylnerol | KNApSAcK: C00022101 |
| C22H36O5 | 380.25627 | 0.020 | Prostalene | HMDB: HMDB0256858 |
| C22H36O5 | 380.25627 | 0.020 | 24-dinor-3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-22-oic acid | LipidMAPS: LMST04050016 |
| C22H36O5 | 380.25627 | 0.020 | 7-[(1R,2R,3R)-3-Hydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid | HMDB: HMDB0247164 |
| C22H36O5 | 380.25627 | 0.020 | 1a,1b-dihomo-9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid | LipidMAPS: LMFA03010156 |
| C22H36O5 | 380.25627 | 0.020 | Membrenone A | KNApSAcK: C00039747 |
| C22H36O5 | 380.25627 | 0.020 | Cycloschkuhriadiol acetate | KNApSAcK: C00022215 |
| C22H36O5 | 380.25627 | 0.020 | 5beta-pregnane-11beta,17alpha,20beta,21-tetrol-3-one | LipidMAPS: LMST02030273, LMST02030274 |
| C22H36O5 | 380.25627 | 0.020 | Limaprost | HMDB: HMDB0254093 |
| C22H36O5 | 380.25627 | 0.020 | 24-dinor-3alpha,6beta,7beta-trihydroxy-5beta-cholan-22-oic acid | LipidMAPS: LMST04050009, LMST04050012, LMST04050013, LMST04050014 |
| C22H36O5 | 380.25627 | 0.020 | Pacificin H | KNApSAcK: C00042820 |
| C22H36O5 | 380.25627 | 0.020 | Bisnorcholic acid | HMDB: HMDB0002082 LipidMAPS: LMST04050005 |
| C22H36O5 | 380.25627 | 0.020 | Divaricatic acid (Pteronia) | KNApSAcK: C00022039 |
| C22H36O5 | 380.25627 | 0.020 | 6,9S-epoxy-11R,15S-dihydoxy-5Z,13E-1a,1b-dihomo-prostadienoic acid | LipidMAPS: LMFA03010195 |
| C22H36O5 | 380.25627 | 0.020 | 9S,15S-dihydroxy-11-oxo-16,16-dimethyl-5Z,13E-prostadienoic acid | LipidMAPS: LMFA03010052 |
| C22H36O5 | 380.25627 | 0.020 | Cordobic acid 18-acetate | KNApSAcK: C00022247 |
| C22H36O5 | 380.25627 | 0.020 | Enisoprost | HMDB: HMDB0251811 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 381.26321 |
| Splash: splash10-004i-0900000000-adfd1b30bcbed39e9d2a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 126.96 | 146772 | 254 | 1000 |
| 255.13 | 13301 | 126 | 90 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Coumestan]-A(2OMe, 1(C-Prenyl))-B(1OH) | Coumestan | 1-O-Methylglycyrol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Glabrachromene I |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 7-Methoxypraecansone B |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(none)-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | beta-Hydroxy(or Oxodihydro)chalcone | Praecanson A |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Ovalichromene A |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-Furano)) | Flavanone | Abyssinoflavanone IV |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Isoglabrachromene |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none) | Flavone | Multijuginol |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Muxiangrin II |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavonol | 4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Flavonol | Vellokaempferol 3,5-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OMe) | Flavonol | Vellokaempferol 3,4'-dimethyl ether |
| 0.000 | [Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Isoflavone | Predurmillone |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | 4-Hydroxy-3-phenylcoumarin | Robustic acid |
| Level: 3, プリカーサーm/z: 255.13025 |
| Splash: splash10-000i-0390000000-8d784f9aae52bd713717 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 237.14 | 2617 | 18 | 1000 |
| 219.32 | 1114 | 36 | 425 |
| 195.13 | 290 | 60 | 110 |
| 185.22 | 275 | 70 | 104 |
| 148.65 | 206 | 106 | 78 |
| 128.97 | 200 | 126 | 76 |
| 156.82 | 187 | 98 | 71 |
| 170.93 | 181 | 84 | 69 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.250 | [Flavonol]-A(1OH)-B(none) | Flavonol | 3,7-Dihydroxyflavone |
| 0.250 | [Isoflavone]-A(2OH)-B(none) | Isoflavone | 5,7-Dihydroxyisoflavone |
| 0.188 | [Flavanone]-A(1OMe)-B(none) | Flavanone | 7-Methoxyflavanone |
| 0.176 | [Isoflavone]-A(1OH)-B(1OH) | Isoflavone | Daidzein |
| 0.176 | [Isoflavone]-A(1OH)-B(1OH) | Isoflavone | 8,4'-Dihydroxyisoflavone |
| 0.118 | [Flavone]-A(1OH)-B(1OH) | Flavone | 7,2'-Dihydroxyflavone |
| 0.118 | [Flavone]-A(1OH)-B(1OH) | Flavone | 7,4'-Dihydroxyflavone |
| 0.118 | [Flavone]-A(1OH)-B(1OH) | Flavone | 5,2'-Dihydroxyflavone |
| 0.118 | [Flavone]-A(1OH)-B(1OH) | Flavone | 8,2'-Dihydroxyflavone |
| 0.118 | [Flavone]-A(2OH)-B(none) | Flavone | Primetin |
| 0.118 | [Flavone]-A(2OH)-B(none) | Flavone | Chrysin |
| 0.118 | [Flavone]-A(none)-B(2OH) | Flavone | 2',5'-Dihydroxyflavone |
| 0.118 | [Flavone]-A(none)-B(2OH) | Flavone | 3',4'-Dihydroxyflavone |
| 0.056 | [Chalcone]-A(1OH, 1OMe)-B(none) | Chalcone | 4'-Hydroxy-2'-methoxychalcone |
| 0.000 | [Aurone]-A(1OH)-B(1OH) | Aurone | Hispidol |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(1OH) | 3-DehydroxyAnthocyanidin | Apigeninidin |
| 0.000 | [Pterocarpene]-A(1OH)-B(1OH) | Pterocarpene | Anhydroglycinol |
| 0.000 | [3-substituted 2-Phenylbenzofuran (3-Methyl)]-A(1OH, 1OMe)-B(none) | 3-substituted 2-Phenylbenzofuran | Parvifuran |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(none) | 4-phenylcoumarin | Nordalbergin |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(none) | 4-phenylcoumarin | Serratin |
| 0.000 | [UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(none) | UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol | 4-Methoxydalbergione |
| 0.000 | [Neoflavene]-A(1OH, 1OMe)-B(none) | Neoflavene | Dalbergichromene |
関連ピーク情報
| ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
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