Drug metabolite identification

The marriage of HPLC to mass spectrometry (MS), now developed into a mature instrumentation, continues to greatly impact many of the separation sciences, especially in pharmaceutical analysis where it has been used in new drug discovery [23,24] and in drug metabolite identification [25-27]. HPLC-MS has also made an impact on lipid research, providing a convenient approach to the analysis of phospholipids and fatty acids [28,29]. It has also greatly benefited the field of proteomics [30-34], especially analysis of protein structure and function. 

Dear GJ, Plumb RS, Sweatman BC et al. (2000) Mass directed peak selection, an efficient method of drug metabolite identification using directly coupled liquid chromatography-mass spectrometry-nuclear magnetic resonance spectroscopy. J Chromatogr B Biomed Sci Appl 748 281-293... 

In a recent report, Tiller et al. [45] described increased throughput for drug metabolite identification studies in the early discovery phase with a record of 21 diverse structural classes of NCEs assayed in one day using AM LC-MS/MS on a Waters QTOF Premier MS system (Waters, Milford, MA, United States) and targeted data analysis procedures. An MSE experiment [46], utilizing dynamic range enhancement... 

Zhang H, Zhang D, Ray K, Zhu M. Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry. J Mass Spectrom 2009b 44 999-1016. 

TABLE 6.8 Data Acquisition and Postacquisition Data Mining Methods Conunonly Employed in Drug Metabolite Identification by HR-MS... 

DESI can serve for the identification of natural products in plant material [1,12,13], of lipids in animal tissue [16,19], for high-throughput analyses of pharmaceutical preparations [20], and for drug metabolite identification or even quan-... 

Because of the low cost, high sensitivity, large mass range, and ability to perform many sequential fragmentation experiments (MS ), ion traps played an important role in pharmaceutical studies, especially in drug metabolites identification. 

---