Metabolomics is the comprehensive profiling of the small molecule composition of a
biological sample. Since metabolites are often the indirect products of gene expression, this …

To reveal metabolomic changes caused by a biological event in quantitative metabolomics,
it is critical to use an analytical tool that can perform accurate and precise quantification to …

Metabolomics studies aim at a better understanding of biochemical processes by studying
relations between metabolites and between metabolites and other types of information (eg …

Highlights•Deeper understanding of metabolisms is accelerated by computational
metabolomics.•Advances for metabolite identification, classification, and prediction are …

Metabolite identification remains a bottleneck in mass spectrometry (MS)-based
metabolomics. Currently, this process relies heavily on tandem mass spectrometry (MS/MS) …

Small molecules, including metabolites and lipids, provide information on metabolic
pathways and active biological processes in living organisms. They are often diagnostic of …

RATIONALE Data analysis is a key step in mass spectrometry based untargeted
metabolomics, starting with the generation of generic peak lists from raw liquid …

High-resolution mass spectrometry (HRMS)-based metabolomics approaches have made
significant advances. However, metabolite identification is still a major challenge with …

Metabolomics has emerged in the past decade as a highly attractive and impactful
technique for phenotype-level profiling in diverse biological applications. Most recently, the …

The potential of a metabolomics method to detect statistically significant perturbations in the
metabolome of an organism is enhanced by excellent analytical precision, unequivocal …