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Metabolite Annotation and Identification in R
Book chapter

Metabolite Annotation and Identification in R

M Witting and Johannes Rainer
Computational Methods and Data Analysis for Metabolomics , Vol.3063, pp.177-188
Methods in Molecular Biology, 3063, Humana
07/09/2026
Handle:
https://hdl.handle.net/10863/53962

Abstract

Metabolite annotation and identification represent one of the major bottlenecks in non-targeted metabolomics. Different levels of confidence have been defined to report results of this task, but tools often treat annotation results as equal. Here, we present example analyses based on the MetaboAnnotation R/Bioconductor package to perform annotation conforming to the Metabolomics Standard Initiative or the Schymanski scale.

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