ピーク情報
|
トマト Micro-Tom 成熟果実の果皮
pos
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| Peak #10395 MN MID: SE203_S11_M90 |
| m/z: 401.25340, RT: 89.19, 強度: 17296, ログ強度: 0.67, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (13 names) MG(0:0/5-iso PGF2VI/0:0);Liriopeoside A;(-)-Liriopeoside A;Pumilaside B;(-)-Pumilaside B;Atractyloside C;Pterodontoside H;Bonactin;Pterodontoside G;Pumilaside C;(-)-Pumilaside C;Citrusoside A;MG(5-iso... |
| DBごとのヒット数: ALL 10 KG 1 KN 7 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.118, MS3: - |
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 |
|---|---|---|---|---|
| C21H36O7 | 400.24610 | 0.061 | MG(0:0/5-iso PGF2VI/0:0) | HMDB: HMDB0260537 |
| C21H36O7 | 400.24610 | 0.061 | Liriopeoside A | KNApSAcK: C00043674 |
| C21H36O7 | 400.24610 | 0.061 | Pumilaside B | KNApSAcK: C00033324 |
| C21H36O7 | 400.24610 | 0.061 | Atractyloside C | KEGG: C17860 |
| C21H36O7 | 400.24610 | 0.061 | Pterodontoside H | KNApSAcK: C00050302 |
| C21H36O7 | 400.24610 | 0.061 | Bonactin | KNApSAcK: C00015666, C00044568 |
| C21H36O7 | 400.24610 | 0.061 | Pterodontoside G | KNApSAcK: C00050301 |
| C21H36O7 | 400.24610 | 0.061 | MG(5-iso PGF2VI/0:0/0:0) | HMDB: HMDB0260485 |
| C21H36O7 | 400.24610 | 0.061 | Citrusoside A | KNApSAcK: C00055540 |
| C21H36O7 | 400.24610 | 0.061 | Pumilaside C | KNApSAcK: C00033325 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 401.25302 |
| Splash: splash10-001i-0259000000-2af9093a2ea12748a3a3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 383.23 | 1536 | 18 | 1000 |
| 229.11 | 407 | 172 | 264 |
| 299.15 | 393 | 102 | 256 |
| 154.96 | 292 | 246 | 190 |
| 126.94 | 134 | 274 | 87 |
| 280.62 | 103 | 121 | 67 |
| 210.80 | 84 | 190 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.118 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | 3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone |
| 0.118 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Isotirumalin |
| 0.118 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Scariosin |
| 0.118 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Dihydroflavonol | Tirumalin |
| 0.100 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1OMe) | Flavanone | Kenusanone E |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(4-Formyl-5-(p-Hydroxyphenyl)furano))) | 2'-Hydroxychalcone | Lophirone D |
| 0.000 | [Flavanone]-A(1OMe)-B(1([2,3:@@]-(5-(p-Methoxyphenyl)furano))) | Flavanone | Lophirone J |
| 0.000 | [Flavone]-A(2OH, 1(C-Digitoxopyranosyl))-B(1OH) | Flavone | Torosaflavone A |
| 0.000 | [Flavone]-A(2OH, 1(C-(beta-D-Oliosyl))-B(1OH) | Flavone | 6-C-beta-D-Oliopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-(beta-D-Boivinosyl))-B(1OH) | Flavone | 6-C-beta-D-Boivinopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 1(C-(beta-D-Epioliosyl))-B(1OH) | Flavone | 6-C-beta-D-Epioliosylapigenin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Angeloyl)) | Dihydroflavonol | 3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-O-angelate |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none) | Flavonol | 8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone |
| 0.000 | [Flavonol]-A(2OH, 1(3-methylsuccinoyl))-B(1OH) | Flavonol | 3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe) | Flavonol | Brevicornin |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavonol | 3,5,8-Trimethoxy-6,7:3',4'-bis(methylenedioxy)flavone |
| 0.000 | [Isoflavanone-3-ol]-A(2OH)-B(2OMe, 1(C-Prenyl)) | Isoflavanone-3-ol | Echinoisoflavanone |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe, 1(2,3-Dihydroxy-3-methylbutyl)) | Coumestan | Mirificoumestan glycol |
| Level: 3, プリカーサーm/z: 383.22806 |
| Splash: splash10-0a6r-0911000000-6e4bc181b5802bc392b6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 126.89 | 75 | 256 | 1000 |
| 155.07 | 67 | 228 | 893 |
| 108.88 | 18 | 274 | 240 |
| 364.43 | 9 | 19 | 123 |
| 211.05 | 6 | 172 | 80 |
| 280.99 | 5 | 102 | 67 |
| 213.26 | 5 | 170 | 66 |
| 328.95 | 5 | 54 | 65 |
| 229.17 | 4 | 154 | 53 |
| 336.32 | 4 | 47 | 52 |
| 245.39 | 4 | 138 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 2OMe, 1(C-Prenyl)) | Isoflavone | Licoricone |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavone | 7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone |
| 0.000 | [Isoflavone]-A(2OH)-B(2OMe, 1(C-Prenyl)) | Isoflavone | Piscerythrinetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavone | Artocarpetin B |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Pterocarpan | Desmodin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH)-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artoindonesianin T |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin K |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)-C(1(O-Acetyl)) | Dihydroflavonol | 6-Prenylpinobanksin 3-O-acetate |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 4'-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | Velloquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Sarothranol |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neoraucarpanol |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautanin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Hildecarpidin |
| 0.000 | [12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxypachyrrhizone |
| 0.000 | [12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-Furano))-B(2OMe) | 12a-Hydroxyrotenone | Neobanone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(2OH, 1(C-Prenyl)) | Coumaranochromon | Lisetin |
| 0.000 | [3-Phenylcoumarin]-A(2OMe, 1(C-Prenyl))-B(2OH) | 3-Phenylcoumarin | Glycyrin |