Abstract metaXCMS is a software program for the analysis of liquid chromatography/mass
spectrometry–based untargeted metabolomic data. It is designed to identify the differences …

Liquid chromatography coupled to electrospray ionization-mass spectrometry (LC–ESI-MS)
is a versatile and robust platform for metabolomic analysis. However, while ESI is a soft …

Analysis of metabolomic profiling data from gas chromatography− mass spectrometry
(GC/MS) measurements usually relies upon reference libraries of metabolite mass spectra to …

In recent years, metabolomics has emerged as a pivotal approach for the holistic analysis of
metabolites in biological systems. The rapid progress in analytical equipment, coupled to the …

The gap of the post-genomic era is increasingly being filled by the metabolomics approach,
comprising a technology for analyzing small molecule endogenous metabolites (≤ 1500 …

Metabolomics has become an invaluable tool for both studying metabolism and biomarker
discovery. The great technical advances in analytical chemistry and bioinformatics have …

Metabolites are building blocks of cellular function. These species are involved in enzyme-
catalyzed chemical reactions and are essential for cellular function. Upstream biological …

Reference standardization was developed to address quantification and harmonization
challenges for high-resolution metabolomics (HRM) data collected across different studies …

While global metabolic profiling (untargeted metabolomics) has been the center of much
interest and research activity in the past few decades, more recently targeted metabolomics …

Mass spectral data sets often contain experimental artefacts, and data filtering prior to
statistical analysis is crucial to extract reliable information. This is particularly true in …