MassMetaSite
A powerful tool for drug metabolite identification from LC-MS data
Many DMPK laboratories use LC-HRMS platforms to generate metabolic clearance data, since quantitative and qualitative outcomes can be determined from the same datasets. How quickly metabolic fate can be characterized depends on whether software can find drug-related material in complex matrix backgrounds, in a high-throughput mode, on compounds that may have different chemotypes.
MassMetaSite is an established approach for the automatic identification of metabolites for small molecules and peptides using LC-MS, UV, fluorescence, and radio-chromatogram data, reducing analysis time from several hours to only a few minutes per compound. The software can assign chemical structures to putative metabolites based on the MS and MS/MS fragmentation pattern of the parent drug and the metabolite. MassMetaSite has been developed to analyze the native data formats from MassLynx and waters_connect, as well as data from multiple other vendors to enhance your research impact.