mzMatch-ISO

mzMatch-ISO is a software tool developed for the analysis of stable isotope-labeled liquid chromatography-mass spectrometry (LC-MS) data. It provides targeted and untargeted isotope profiling to enable automated annotation and relative quantification of labeled metabolite peaks. The tool offers four types of diagnostic plots that show chromatograms of isotope peaks, ratio of mono-isotopic and labeled peaks, average peak area of mono-isotopic and labeled peaks, and trend in the relative amount of labeling in a predetermined isotopomer. The values generated for these plots are provided as a tab-delimited file for statistical analyses. The tool is demonstrated using a (13)C-labeled metabolome dataset from trypanosomal parasites.

Topic

metabolomics data analysis, isotope labeling data analysis

Detail

  • Operation: Mass spectrometry data analysis;Metabolite peak annotation;Isotope labelling analysis;Data visualization;Statistical analysis

  • Software interface: -

  • Language: R

  • License: -

  • Cost: Free

  • Version name: -

  • Credit: Scottish Universities LifeSciences Alliance (SULSA) grant, Netherlands Organisation for Scientific Research NWO-Vidigrant, Australian National Health andMedical Research Council postdoctoral training fellowship, SysMO, NWO-Vidi, SULSA, the Wellcome Trust through The Wellcome Trust Centre for Molecular Parasitology.

  • Input: -

  • Output: -

  • Contact: rainer.breitling@manchester.ac.uk

  • Collection: -

  • Maturity: Stable

Publications

  • mzMatch-ISO: an R tool for the annotation and relative quantification of isotope-labelled mass spectrometry data.
  • Chokkathukalam A, et al. mzMatch-ISO: an R tool for the annotation and relative quantification of isotope-labelled mass spectrometry data. mzMatch-ISO: an R tool for the annotation and relative quantification of isotope-labelled mass spectrometry data. 2013; 29:281-3. doi: 10.1093/bioinformatics/bts674
  • https://doi.org/10.1093/bioinformatics/bts674
  • PMID: 23162054
  • PMC: PMC3546800

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