Compound Discoverer 3.1 has just been released!  New features include :

• Molecular Networks to interactively explore relationships between compounds based on transformations and spectral similarity
• Scripting node to embed scripts—for example, Python or R scripts—in workflows
• Mass Defect Plot for Compounds and Expected Compounds
• Search mzCloud node:
  • Supports automatic searches of multiple spectral libraries
  • Supports the new “Autoprocessed” mzCloud library
  • Displays the fragment structure for matching peaks

Download a free demo from here.