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Structure Elucidation

General ressources and information

  • Overview of open resources to support automated structure verification and elucidation    
  • Metabolomics software tools    

Useful links for Mass Spectrometry

  • Metaspace for metabolite annotation    
  • MetFrag    
  • GNPS    
  • MassBank    
  • MoNA    
  •    

Useful links for NMR spectroscopy

  • ACD/Structure Elucidator Suite - Examples for elucidations    
  • ACD/Labs webinars    
  • Reich - Structure Determination Using Spectroscopic Methods    
  • NMR Wiki    

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Last Update:

28.08.2023

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