Mass Frontier™ Spectral Interpretation Software

Transform your mass spectral data into knowledge quickly and easily using Thermo Scientific™ Mass Frontier™ spectral interpretation software. Take the challenge out of small molecule structural elucidation for metabolism, metabolomics, forensics, natural products, impurities, and degradants studies. High-quality, curated experimental spectral and fragmentation libraries simplify the deconvolution, evaluation, interpretation and management of infusion, and LC, nominal mass, or high resolution mass spectral data. Streamline building and curating your library and sharing it with your colleagues and collaborators. Mass Frontier software complements Thermo Scientific™ Compound Discoverer™ software for routine-based small molecule discovery and identification.

See what's really there

• Deconvolute your nominal mass or high resolution LC-MSⁿ or infusion data.
• Capture all of your data, no matter how complex, with simple interrogation of all components.

Know more unknowns

• Transform your small molecule unknown data into actionable knowledge.
• Search mzCloud™ mass spectral library, the world's most comprehensive and structurally diverse fully curated mass spectral database.
• Maximize the utility of your MSⁿ data for the confident identification of unknown with spectral tree searching.
• Enhance your confidence in proposed unknown candidate structures by using Thermo Scientific™ mzLogic™ algorithm, based on similarity searching to millions of fragment annotated spectra.

Go from spectra to structure

• The HighChem Fragmentation Library™ includes >54,000 fragmentation schemes, ∼ 220,000 individual reactions, and 256,000 chemical structures, all from peer-reviewed literature.
• Spectral trees are fully annotated with fragmentation structures.
• FISh (fragment ion search) detection enables detection of structurally related compounds, indicating the site of transformations for drug metabolites.

Build your pathways

• Interactively search more than 370 curated biochemical pathways with Thermo Scientific™ Metabolika™ pathway mapping.
• Create and understand fragmentation pathways and mechanisms using advanced fragmentation scheme knowledge base drawn from more than 99% of published fragmentation pathways.

Store, share and utilize your knowledge

• Translate your data into actionable knowledge: create, curate and store your own spectral libraries and pathways.
• Ensure the highest quality proprietary libraries with full curation and mass recalibration tools.