MetaboAnnotation

Description

High level functions to assist in annotation of (metabolomics) data sets. These include functions to perform simple tentative annotations based on mass matching but also functions to consider m/z and retention times for annotation of LC-MS features given that respective reference values are available. In addition, the function provides high-level functions to simplify matching of LC-MS/MS spectra against spectral libraries and objects and functionality to represent and manage such matched data.

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People

• Johannes Rainer author maintainer
• Carolin Huber author
• Philippine Louail author
• Nir Shachaf contributor
• Andrea Vicini author
• Michael Witting author