biocontainers/lcmsmatching repository overview

⁠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

• http://workflow4metabolomics.org⁠

⁠Git Repository

• https://github.com/phnmnl/container-lcmsmatching.git⁠

⁠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