Metabolomics is rapidly becoming an integral part of many life science studies ranging from
disease diagnostics to systems biology. However, a number of problems such as the …

Liquid chromatography coupled to mass spectrometry is routinely used for metabolomics
experiments. In contrast to the fairly routine and automated data acquisition steps …

Searching metabolites against databases according to their masses is often the first step in
metabolite identification for a mass spectrometry-based untargeted metabolomics study …

Liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics
experiments have become increasingly popular because of the wide range of metabolites …

Metabolomics is a technique in which the small molecule component from a biological
source material is analyzed for changes resulting from some set of test conditions. Liquid …

Highlights•Chromatography-based mass spectrometry (MS) allows profiling 100 samples
per day.•Thousands of samples per day can be efficiently analyzed by omitting …

Covering: up to the end of 2020 Recently introduced computational metabolome mining
tools have started to positively impact the chemical and biological interpretation of …

Metabonomics and metabolomics represent one of the three major platforms in systems
biology. To perform metabolomics it is necessary to generate comprehensive “global” …

Highlights•Metabolomics provides a functional read-out of the physiological status of an
organism.•A precise (dynamic) description of the clinical phenotype is missing for complex …

Liquid chromatography coupled to mass spectrometry (LC-MS) has become a standard
technology in metabolomics. In particular, label-free quantification based on LC-MS is easily …