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Metabolite Annotation and Identification in R.
In: Computational Methods and Data Analysis for Metabolomics. Berlin [u.a.]: Springer, 2026. 177-188 (Methods Mol. Biol. ; 3063)
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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Publication type
Article: Periodical or book chapter
Keywords
Metaboannotation ; Metabolite Identification ; Non-targeted Metabolomics ; R ; Rformassspectrometry
ISSN (print) / ISBN
1064-3745
e-ISSN
1940-6029
Book Volume Title
Computational Methods and Data Analysis for Metabolomics
Journal
Methods in Molecular Biology
Quellenangaben
Volume: 3063,
Pages: 177-188
Publisher
Springer
Publishing Place
Berlin [u.a.]
Reviewing status
Peer reviewed
Institute(s)
Core Facility Metabolomics and Proteomics (CF-MPC)