The metabolome is the set of small molecular mass compounds found in biological media,
and metabolomics, which refers to as the analysis of metabolome in a given biological …

Identification of unknown metabolites is the bottleneck in advancing metabolomics, leaving
interpretation of metabolomics results ambiguous. The chemical diversity of metabolism is …

Background Untargeted metabolomics commonly uses liquid chromatography mass
spectrometry to measure abundances of metabolites; subsequent tandem mass …

The identification of small molecules from mass spectrometry (MS) data remains a major
challenge in the interpretation of MS data. This review covers the computational aspects of …

RATIONALE High‐resolution multistage MSn data contains detailed information that can be
used for structural elucidation of compounds observed in metabolomics studies. However …

The identification of small molecules from mass spectrometry (MS) data remains a major
challenge in the interpretation of MS data. Computational aspects of identifying small …

Liquid chromatography coupled with multistage accurate mass spectrometry (LC–MS n) can
generate comprehensive spectral information of metabolites in crude extracts. To support …

The review is devoted to chemical identification using mass spectrometry as the most
powerful technique of qualitative analysis. The review begins with consideration of basic …

Mass spectrometry allows sensitive, automated, and high-throughput analysis of small
molecules. In principle, tandem mass spectrometry allows us to identify “unknown” small …

Metabolomics, the comprehensive study of the metabolome, and lipidomics—the large-scale
study of pathways and networks of cellular lipids—are major driving forces in enabling …