Thermo Scientific™

Mass Frontier Spectral Interpretation Software

 Related applications: Industrial Mass Spectrometry

Transform mass spectral data into answers, quickly and easily using Thermo Scientific™ Mass Frontier™ spectral interpretation software. Mass Frontier software provides small-molecule structural elucidation for research into metabolism, metabolomics, forensics, natural products, impurities, and degradants. Innovative features simplify the management, evaluation, and interpretation of GC and LC mass spectral data. Mass Frontier software complements Thermo Scientific™ Compound Discoverer software for small molecule research applications.

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  • Includes the HighChem Fragmentation Library with extensive literature coverage
  • Predicts fragmentation and generates mechanistic pathways
  • Performs Fragment Ion search (FISh) and FISh Explanation for structurally related components
  • Annotates MSn spectral ion trees, automatically
  • Includes expert-annotated HighChem Positive and Negative Spectral Libraries

  • Identifies small molecule structures quickly and confidently using MSn data combined with extensive literature coverage on fragmentation mechanisms
  • Saves work in progress, completed work, and processing methods
  • Recognizes the Thermo Scientific data source and applies the appropriate parameters, automatically
  • Includes component detection and deconvolution of MSn spectral trees
  • Assists de novo structural elucidation using spectra and spectral tree comparison tools
  • Provides customizable and fully searchable user libraries to store spectra, fragments, mechanisms, search results, and more

  • Captures and categorizes variation in LC-MSn data using innovative library technology
  • Enables library sharing across the network and dynamic library searching using client/server database capabilities
  • Includes comprehensive and customizable reporting tools
  • Provides component search for species, matrices, or time-course comparison studies
  • Sorts search results by spectral tree similarity, retention time, m/z value, and molecular formula using the Components Editor

  • Complements MetWorks automated metabolite identification software for the study of biotransformations
  • Complements MetQuest automated qual/quan metabolic screening software for simultaneous quan/qual drug metabolism and pharmacokinetic analysis
  • SIEVE software for differential analysis of metabolomics data

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Manuals & protocols