Thermo Scientific - Compound Discoverer Software

Manufactured by  Thermo Scientific
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Save time in small-molecule identification with Thermo Scientific™ Compound Discoverer™ software. Compound...

Save time in small-molecule identification with Thermo Scientific™ Compound Discoverer™ software. Compound Discoverer software ensures confident compound identification and structural elucidation in applications as diverse as pharmaceutical metabolism, impurity analysis, forensic toxicology, and environmental research. The software helps researchers plan how data will be collected, organized, stored and reported with the final result in mind. Its node-assembled processing workflows, advanced algorithms, and study-oriented data storage allow users to quickly process and assemble data collected from multiple samples into a unified report.
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Features of Compound Discoverer Software

Extensive toolset  Compound Discoverer software includes an extensive set of tools that can be used individually or combined, including: 

  • Isotope pattern trace 
  • Fragment ion search trace 
  • Multiple mass defect filtering 
  • Expected compound search including dealkylation and dearylation predictions and transformation products 
  • Untargeted compound detection with isotope and adduct grouping 
  • Fragment ion search (FISh) and structure annotations 
  • Compare with control 
  • Analog data support 

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

  • Workflows are modular, assembled from a suite of advanced algorithms (nodes) 
  • The drag-and-drop workflow editor makes it easy to assemble nodes into a complete workflow, allowing you to choose exactly how to process your data and in what sequence 

Configurable data display  Compound Discoverer software makes it easy to display the data that is most meaningful for your analyses in ways that make that data more useful. 

  • Customizable data display allows you to review only the data you choose 
  • Multiple monitor support ensures you can see the data you need all at once 
  • The ability to stack or overlay orthogonal data increases confidence in conclusions 
  • Orthogonal approaches like isotope trace and fragment trace combine with analog data to improve interpretation 
  • Visualization of spectral tree along with fragmentation annotations provides a pathway to structural elucidation 

Customizable reports  Highly flexible, customizable reports in Compound Discoverer software make it possible to pass along exactly the information needed in the format in which it is needed.

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