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Witting, M. ; Rainer, J.*

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)
DOI
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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Publikationstyp Artikel: Sammelbandbeitrag/Buchkapitel
Schlagwörter Metaboannotation ; Metabolite Identification ; Non-targeted Metabolomics ; R ; Rformassspectrometry
ISSN (print) / ISBN 1064-3745
e-ISSN 1940-6029
Bandtitel Computational Methods and Data Analysis for Metabolomics
Zeitschrift Methods in Molecular Biology
Quellenangaben Band: 3063, Heft: , Seiten: 177-188 Artikelnummer: , Supplement: ,
Verlag Springer
Verlagsort Berlin [u.a.]
Begutachtungsstatus Peer reviewed
Institut(e) Core Facility Metabolomics and Proteomics (CF-MPC)