The identification of in vitro metabolites of CKD-732 by liquid chromatography/tandem mass spectrometry
| Autor: | Seung-Woon Myung, Dong-Hyun Kim, Chung Ii Hong, Hye-Young Kim, Joon-Kyum Kim, Hyun-Woo Cho, Myungsoo Kim, Ho Sup Lee, Hye-Ki Min |
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| Rok vydání: | 2002 |
| Předmět: |
Electrospray
Spectrometry Mass Electrospray Ionization Chromatography Chemistry Elution Metabolite Organic Chemistry Protonation Mass spectrometry High-performance liquid chromatography Analytical Chemistry Anti-Bacterial Agents Rats chemistry.chemical_compound Liquid chromatography–mass spectrometry Cyclohexanes Mass spectrum Fatty Acids Unsaturated Microsomes Liver Animals Sesquiterpenes Spectroscopy Chromatography High Pressure Liquid |
| Zdroj: | Rapid communications in mass spectrometry : RCM. 16(21) |
| ISSN: | 0951-4198 |
| Popis: | The structural elucidation of fourteen metabolites of CKD-732, formed in vitro with rat liver microsomes, was performed using high-performance liquid chromatography/electrospray ionization-tandem mass spectrometry (HPLC/ESI-MS/MS). To identify proposed structures of the metabolites, the product ion mass spectra of the protonated molecules ([M + H]+), the retention times on reversed-phase HPLC, and UV-Vis spectra were utilized. Characteristic product ions for the identification of CKD-732 metabolites were observed at m/z 231, 236, and 252. The fragment ions at m/z 236 and 252 indicated the unchanged form and the N-oxide of the dimethylaminoethoxycinnamoyl group, respectively. The ion at m/z 231 indicated the presence of the hydroxylated form of the fumagillol group. The N-oxide of CKD-732, which was detected at m/z 515 and eluted later than CKD-732 in the reversed-phase HPLC system, was measured as a major metabolite. Three cis-trans isomers were also found. |
| Databáze: | OpenAIRE |
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