Depending on your needs and the development stage of your compounds, our experienced analytical chemists offer a tiered approach to metabolite ID. With this approach, we test only for what you need at the time and we can follow up with more intensive analyses as appropriate, from screening mode through GLP-level rigor. At the screening level, we will report results of detection of expected metabolites in metabolic stability samples using LC-High Resolution Accurate Mass Spectrometry (Orbitrap instrument). If requested, we will provide results of comprehensive metabolite detection followed by structural elucidation. We complement our structure assignment process with in-silico metabolism simulations using MetaSite software to rank-order metabolic soft spots when achieving atomic resolution in structural assignment is not possible from MS(n) data alone, and will also provide rank of contribution of other atoms in the molecule into observed metabolic instability. Finally, we can perform isolation of targeted metabolite(s) from various in vitro and in vivo matrices followed by unambiguous structural elucidation using NMR. If isolation of metabolites is not feasible from biological matrices, we offer a complimentary approach – Biomimetic oxidation.
Why should you identify metabolites?
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