metaMS

metaMS is an R tool designed for untargeted metabolomics, a crucial approach in studying complex biological samples and tailored explicitly for gas chromatography-mass spectrometry (GC-MS), the most widely used technology for volatile compounds or those that can be chemically derivatized into volatile forms. The field faces data processing and analysis challenges, often relying on vendor-supplied software that may need to be more easily integrated into large laboratories with diverse instruments.
metaMS provides a high-throughput pipeline for GC-MS data processing. The tool facilitates rapid annotation using in-house databases and supports the construction and validation of such databases. The results are presented in user-friendly tables, summarizing the relative concentrations of identified compounds and unknowns across all samples.

Topic

Metabolomics

Detail

  • Operation: Spectral analysis

  • Software interface: Command-line user interface,Library

  • Language: R

  • License: GNU General Public License, version 2

  • Cost: Free

  • Version name: 1.38.0

  • Credit: -

  • Input: -

  • Output: -

  • Contact: Yann Guitton yann.guitton@gmail.com

  • Collection: -

  • Maturity: Stable

Publications

  • metaMS: an open-source pipeline for GC-MS-based untargeted metabolomics.
  • Wehrens R, et al. metaMS: an open-source pipeline for GC-MS-based untargeted metabolomics. metaMS: an open-source pipeline for GC-MS-based untargeted metabolomics. 2014; 966:109-16. doi: 10.1016/j.jchromb.2014.02.051
  • https://doi.org/10.1016/j.jchromb.2014.02.051
  • PMID: 24656939
  • PMC: -

Download and documentation

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