A Modular and Expandable Ecosystem for Metabolomics Data Annotation in R

A Modular and Expandable Ecosystem for Metabolomics Data Annotation in R

Liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics experiments have become increasingly popular because of the wide range of metabolites that can be analyzed and the possibility to measure novel compounds. LC-MS instrumentation and analysis conditions can differ substantia...

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Bibliographic Details
Main Authors: Johannes Rainer, Andrea Vicini, Liesa Salzer, Jan Stanstrup, Josep M. Badia, Steffen Neumann, Michael A. Stravs, Vinicius Verri Hernandes, Laurent Gatto, Sebastian Gibb, Michael Witting
Format: Article
Language:English
Published: MDPI AG 2022-02-01
Series:Metabolites
Subjects:
metabolomics
untargeted analysis
annotation
R programming
small-compound databases
reproducible research
Online Access:https://www.mdpi.com/2218-1989/12/2/173

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