Thermo Scientific™

Compound Discoverer Software

Related applications:

Industrial Mass Spectrometry

Streamline and customize high-resolution accurate-mass data analysis with Thermo Scientific™ Compound Discoverer™ small molecule identification software. Compound Discoverer simplifies and reduces processing clicks, enabling you to go from analysis to insight faster. Customizable node-based workflows, integrated compound identification capabilities, and statistical analysis all reduce the time involved in using multiple software tools to analyze results.

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Know more unknowns
  • Identify compounds using online database search tools including mzCloud™, Chemspider™, KEGG, and BioCyc, and local database search tools such as the mzVault™ spectral library or mass lists.
  • Determine elemental composition using high resolution fine isotopes and MS/MS data.
Workflow flexibility to match analytical requirements

Compound Discoverer software offers complete flexibility, making it easy to assemble a workflow that matches the analytical requirements of your analysis.

  • Workflows are modular and assembled from a suite of advanced algorithms (nodes).
  • Customizable workflow templates for different applications are included with the software for ease-of-use.
  • Workflows can be enhanced with custom nodes to meet the needs of your most challenging research.
Advanced data processing and visualization
  • Biological pathway analysis with high quality data processing and statistical analysis—support for stable isotope labeling (“flux analysis”) workflows to analyze differences in samples.
  • Find real differences between sample sets with heat map-like tables, interactive PCA, partial least squares discriminant analysis (PLS-DA), etc.
  • Visualization of spectral trees along with fragmentation annotations and mzLogic algorithm for ranking chemical database hits using spectral library similarities for structural elucidation.