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The pipelined metabolite identification based on MS fragmentation.

Miguel Rojas-ChertóPiotr T. KasperJulio E. PeironcelyTheo H. ReijmersRob J. VreekenThomas Hankemeier
Published in: J. Cheminformatics (2010)
Keyphrases
  • mass spectrometry
  • data flow
  • mass spectra
  • tandem mass spectrometry
  • similarity measure
  • artificial neural networks
  • automatic identification
  • identification rate
  • metadata
  • nmr spectra