AssayR

AssayR is an R package to analyze Targeted Metabolic and Stable Isotope Tracers in Mass Spectrometry (MS) data. The input to AssayR are high resolution wide-scan liquid chromatography-mass spectrometry (LC-MS) data sets and integrates peak areas for all isotopologues and outputs ion chromatograms (EICs), absolute and relative stacked bar charts for all isotopologues.

Topic

Mass spectrometry;Proteomics;Molecular interactions, pathways and networks

Detail

  • Operation: Spectral analysis

  • Software interface: Command-line user interface

  • Language: R;Shell

  • License: The MIT + file LICENSE

  • Cost: Free

  • Version name: 0.1.5

  • Credit: The Medical Research Council, the Wellcome Trust Institutional Support Fund.

  • Input: -

  • Output: csv

  • Contact: Jimi Wills jimi.wills@igmm.ed.ac.uk

  • Collection: -

  • Maturity: -

Publications

  • AssayR: A Simple Mass Spectrometry Software Tool for Targeted Metabolic and Stable Isotope Tracer Analyses.
  • Wills J, Edwards-Hicks J, Finch AJ. AssayR: A Simple Mass Spectrometry Software Tool for Targeted Metabolic and Stable Isotope Tracer Analyses. Anal Chem. 2017 Sep 19;89(18):9616-9619. doi: 10.1021/acs.analchem.7b02401. Epub 2017 Sep 5. PMID: 28850215; PMCID: PMC5628912.
  • https://doi.org/10.1021/acs.analchem.7b02401
  • PMID: 28850215
  • PMC: PMC5628912

Download and documentation

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