MetaSense®

MetaSense is a metabolite identification and prediction software that helps scientists identify known and unknown metabolites, predict likely biotransformations, and interpret LC/MS data from drug metabolism studies. It combines metabolite prediction, automated data analysis, biotransformation mapping, and knowledge management in one platform. It uses built-in probabilistic, structure-based prediction models, to predict metabolites—helping researchers accelerate metabolite identification with greater confidence.

MetaSense brings metabolite prediction, data processing, data review, biotransformation visualization, reporting, and knowledge management into one integrated environment. Instead of moving data between multiple applications, scientists can work from a single interface with linked chromatograms, spectra, structures, metabolite tables, and kinetic plots. 

Yes. MetaSense supports targeted workflows based on predicted metabolites as well as untargeted approaches using tools such as fractional mass filtering. Scientists can verify structures based on MS/MS spectra in conjunction with logD predictions. This helps scientists identify both expected biotransformation products and previously unknown metabolites. 

Yes, MetaSense predicts metabolite structures before experimental analysis using in silico biotransformation rules. It generates probable metabolite structures, predicts fragmentation patterns, and creates searchable databases, enabling faster metabolite identification. 

Yes. MetaSense enables interactive review by linking results to chromatograms, MS/MS spectra, and mirror plots for confident metabolite validation. A searchable knowledge base stores and reuses structures, reactions, spectra, and biotransformation maps, improving traceability, consistency, and reuse of MetID knowledge across projects.

MetaSense supports data from major LC/MS instrument vendors through a vendor-neutral Spectrus Platform architecture. It enables import of more than 150 file formats, allowing laboratories to standardize metabolite identification workflows across multiple instruments, vendors, and sites while maintaining consistent analysis, interpretation, and reporting in a single integrated environment.

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MetaSense visualizes biotransformation pathways by predicting metabolite structures through enzymatic reaction rules, mapping parent-to-metabolite relationships, and generating fragmentation pathways. It accelerates pathway elucidation by comparing predicted structures with experimental MS data, enabling confident identification of metabolites and understanding drug metabolism mechanisms. 

Many metabolite identification workflows require separate applications for prediction, LC/MS processing, visualization, reporting, and data storage. MetaSense combines these capabilities within a single platform, reducing workflow complexity, improving traceability, and supporting knowledge reuse across projects. 

MetaSense is designed to support individual scientists, project teams, and enterprise organizations through centralized data management, multi-vendor compatibility, workflow automation, reporting, and knowledge-sharing capabilities.