Application of semi-automated metabolite identification software in the drug discovery process for rapid identification of metabolites and the cytochrome P450 enzymes responsible for their formation

Rapid identification of metabolites of compound X using data dependent scan function of a quadrupole ion trap mass spectrometer and semi-automated metabolite identification software is described. Compound X is metabolized via monooxygenation and desmethylation. LC-ESI-MS spectra obtained, following...

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Veröffentlicht in:	Journal of pharmaceutical and biomedical analysis 2002-06, Vol.28 (5), p.945-951
Hauptverfasser:	Ramanathan, Ragu, McKenzie, Donald L., Tugnait, Meera, Siebenaler, Kristen
Format:	Artikel
Sprache:	eng
Schlagworte:	Analysis Automated metabolite identification software Automation Biological and medical sciences Biotransformation Chemical inhibition Chromatography, High Pressure Liquid CYP450 Cytochrome P-450 Enzyme System - metabolism Drug discovery Drug metabolism General pharmacology LC-MS/MS Mass Spectrometry Medical sciences Pharmaceutical Preparations - metabolism Pharmacokinetics. Pharmacogenetics. Drug-receptor interactions Pharmacology. Drug treatments Software Spectrophotometry, Ultraviolet Structure elucidation
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