ピーク情報
|
リーフレタスグリーン
pos
|
| Peak #7121 MN MID: SE198_S12_M90 |
| m/z: 347.12418, RT: 45.03, 強度: 14558, 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）: 6 |
| DB検索結果: (4 names) M-Nifedipine;Nifedipine;2,6-Dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester;Miraxanthin-V |
| DBごとのヒット数: ALL 4 KG 2 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.091, MS3: - |
|
安定同位体ラベル実験で見積もられた原子数:
N: 2
S: 0
|
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 |
|---|---|---|---|---|
| C17H18O6N2 | 346.11649 | 1.204 | M-Nifedipine | HMDB: HMDB0254280 |
| C17H18O6N2 | 346.11649 | 1.204 | Nifedipine | HMDB: HMDB0015247 KEGG: C07266 |
| C17H18O6N2 | 346.11649 | 1.204 | 2,6-Dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester | HMDB: HMDB0255502 |
| C17H18O6N2 | 346.11649 | 1.204 | Miraxanthin-V | KEGG: C08557 KNApSAcK: C00001598 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 347.12411 |
| Splash: splash10-004i-0009000000-37d517463819ae40423c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 329.16 | 35488 | 18 | 1000 |
| 301.12 | 2916 | 46 | 82 |
| 311.18 | 2297 | 36 | 64 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.091 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(2OH) | 2'-Hydroxychalcone | Hamilcone |
| 0.077 | [Flavanone]-A(1OH, 3OMe)-B(1OH) | Flavanone | 5,4'-Dihydroxy-6,7,8-trimethoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 1OMe)-B(1OH, 2OMe) | Flavanone | 5,2'-Dihydroxy-7,4',5'-trimethoxyflavanone |
| 0.077 | [Flavanone]-A(2OH, 2OMe)-B(1OMe) | Flavanone | 5,6-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | Agestricin D |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone |
| 0.077 | [Flavanone]-A(1OH, 2OMe)-B(1OH, 1OMe) | Flavanone | 5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone |
| 0.056 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Inucrithmin |
| 0.056 | [Flavonol]-A(1OH, 1OMe)-B(2OH, 1OMe) | Flavonol | Myricetin 7,4'-dimethyl ether |
| 0.056 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Myricetin 3',4'-dimethyl ether |
| 0.056 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Syringetin |
| 0.056 | [Flavonol]-A(2OH)-B(1OH, 2OMe) | Flavonol | Viscidulin III |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Spinacetin |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Laciniatin |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 7,3'-dimethyl ether |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3',8-dimethyl ether |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 7,4'-dimethyl ether |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Limocitrin |
| 0.056 | [Flavonol]-A(2OH, 1OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 8,4'-dimethyl ether |
| 0.056 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Eupatolitin |
| 0.056 | [Flavonol]-A(1OH, 2OMe)-B(2OH) | Flavonol | Zanthoxyl flavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(3OH) | Flavone | 5,3',4',5'-Tetrahydroxy-6,7-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-6,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | Ganhuangenin |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,3',5'-Tetrahydroxy-8,4'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 1OMe)-B(2OH, 1OMe) | Flavone | 5,7,2',4'-Tetrahydroxy-8,5'-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | Leucanthogenin |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(2OH) | Flavone | 5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone |
| 0.000 | [Dihydrochalcone]-A(1OH, 4OMe)-B(none) | Dihydrochalcone | Dihydrokanakugiol |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 2OMe) | Pterocarpan | 2,8-Dihydroxy-3,9,10-trimethoxypterocarpan |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Dihydrochalcone | 2',6'-Dihydroxy-4,3'-dimethoxy-4',5'-methylenedioxydihydrochalcone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH)-C(1(O-Acetyl)) | Dihydroflavonol | Taxifolin 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Myricetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | Artemexitin |
| 0.000 | [Flavonol]-A(2OH, 1Methyl)-B(2OH, 1OMe) | Flavonol | Dumosol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(3OH) | Flavonol | Alluaudiol |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH)-B(2OH, 1OMe) | Flavonol | 5,7,2',5'-Tetrahydroxy-3,4'-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Axillarin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Tomentin |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,3'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,4'-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | 7,8,3',4'-Trihydroxy-3,5-dimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH) | Flavonol | Gossypetin 3,8-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OH, 1OMe)-B(1OH) | Flavonol | 5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavan 3,4-diol | 3,4,7-Trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 1OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Amorphaquinone |