MassMetaSite Software
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.
MassMetaSite Software
Overview
- Improve your metabolite analysis efficiency through automated peak detection using state-of-the-art algorithms
- Advance your investigations with automated structure elucidation using product ion data
- Rationalize metabolites across a range of chemical modalities including small molecules, proteolysis targeting chimeras (or PROTACs), peptides, and oligonucleotides
- Start processing your data after just a few hours of training using a comprehensive and easy-to-learn toolset
- Process both small and large sample batches of drug metabolism data for added versatility
Recommended Use: For bringing forward compounds into development using an established approach for the automatic identification of metabolites for small molecules and peptides.
Streamline data processing with complete compatibility
Add even greater value to the native capabilities of waters_connect software solutions to process drug metabolism data through a streamlined end-to-end workflow that is fully compatible with Waters data, including MSE, SONAR, HDMSE, and calculation of CCS values. As a vendor-neutral solution, your lab can utilize software processing capabilities across multiple MS instruments.
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