Structural elucidations of biotransformation products (metabolites) are crucial in order to understand the metabolic fate of drugs in humans and pre-clinical safety species. The use of high resolution mass spectrometry together with experience in the field allows for highly confident metabolite characterisation.
Metabolite characterization is carried out in different assays and studies at differentr levels, all depending on the question in mind.
Structural characterisation of metabolites based on high resolution MS and MS/MS, accurate mass and elemental composition.
- Use of stable isotopes, e.g. isotope clusters, incubations with 16O2/18O2
- Deuterium exchange experiments
- Derivatisation reactions
- Trapping of reactive metabolities with e.g. GSH or KCN
- Isolation of metabolities for NMR
- NMR (in collaboration with SP Process Development)