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README.md

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W4M LCMS matching

Version: 3.1.1

Short description

Annotation of MS peaks using matching on a spectra database.

Description

This tool performs LC/MS matching on an input list of MZ/RT values, using either a provided in-house single file database or a connection to Peakforest database.

Key features

  • LCMS annotation.

Functionality

  • Annotation / MS / L2a Library Spectrum Match
  • Post-processing

Approaches

  • Metabolomics / Untargeted

Instrument Data Types

  • MS / LC-MS / Orbitrap LC-MS
  • MS / LC-MS / HPLC-MS
  • MS / LC-MS / UPLC-MS
  • MS / LC-MS / Centroid LC-MS

Screenshots

Tool Authors

  • Pierrick Roger (CEA).

Container Contributors

  • Pierrick Roger (CEA).

Website

Git Repository

Installation

For local individual installation:

docker pull docker-registry.phenomenal-h2020.eu/phnmnl/lcmsmatching

Usage Instructions

For direct docker usage:

docker run docker-registry.phenomenal-h2020.eu/phnmnl/lcmsmatching ...

Publications