Mass Frontier software complements Thermo Scientific MetWorks* metabolite identification software for the study of biotransformations, Thermo Scientific MetQuest screening software for simultaneous quan/qual drug metabolism and pharmacokinetic analysis, and SIEVE differential analysis software for the study of metabolomics. Providing comprehensive spectral data and fragmentation mechanism knowledge management, the new version of Mass Frontier software facilitates metabolite identification and structural elucidation by simplifying the interpretation of MSn spectral data.
Chemically Intelligent
- HighChem Fragmentation Library with extensive literature coverage
- Fragmentation prediction and generation of mechanistic pathways
- Fragment Ion search (FISh) and FISh Explanation for structurally related components
- Automatic annotation of MSn spectral ion trees
- Expert-annotated HighChem Positive and Negative Spectral Libraries
Easy-to-Use- Capability to save work in progress, completed work, and processing methods
- Automatic recognition of Thermo data source and application of parameters
- Component Detection and Deconvolution of MSn Spectral Trees
- Spectra and Spectral Tree Comparison tools for assisting de novo structural elucidation
- Customizable and fullysearchable user libraries to store spectra, fragments, mechanisms, search results, and more
Productivity Oriented
- Unique and innovative library technology to capture and categorize the variation in MSn data from LCMS
- Client/Server capabilities for library sharing across networks
- Comprehensive and customizable reporting tools
- Component Search for species, matrices, or time course comparison studies
- Components Editor to sort search results by spectral tree similarity, retention time, m/z value, and molecular formula
Recommended for: Small molecule structural elucidation in a wide range of applications including metabolism, metabolomics, forensics, natural products, impurities, and degradants research.