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Identification of metabolites using high precision mass spectrometry. MS Peaks are used to derive a ranked list of sum formulae, alternatively for a given sum formula the theoretical isotope distribution can be calculated to search in MS peak lists.
Package details 


Author  Anton Pervukhin <apervukh@minet.unijena.de>, Steffen Neumann <sneumann@ipbhalle.de> 
Bioconductor views  ImmunoOncology MassSpectrometry Metabolomics 
Maintainer  Steffen Neumann <sneumann@ipbhalle.de> 
License  GPL2 
Version  1.48.0 
URL  https://github.com/sneumann/Rdisop 
Package repository  View on Bioconductor 
Installation 
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