Metabolite profiling is critical in many aspects of the life sciences, particularly natural product
research. Obtaining precise information on the chemical composition of complex natural …

Metabolomics aims at identification and quantitation of small molecules involved in
metabolic reactions. LC-MS has enjoyed a growing popularity as the platform for …

The functional interpretation of high throughput metabolomics by mass spectrometry is
hindered by the identification of metabolites, a tedious and challenging task. We present a …

The annotation of small molecules is one of the most challenging and important steps in
untargeted mass spectrometry analysis, as most of our biological interpretations rely on …

Spectral matching of MS2 fragmentation spectra has become a popular method for
characterizing natural products libraries but identification remains challenging due to …

Liquid chromatography–high-resolution mass spectrometry (LC-MS)-based metabolomics
aims to identify and quantify all metabolites, but most LC-MS peaks remain unidentified …

This review focuses on recent and potential advances in chemometric methods in relation to
data processing in metabolomics, especially for data generated from mass spectrometric …

Metabolomics aims at detection and quantitation of all metabolites in biological samples.
The presence of metabolites with a wide variety of physicochemical properties and different …

The study of biological systems in a holistic manner (systems biology) is increasingly being
viewed as a necessity to provide qualitative and quantitative descriptions of the emergent …

Metabolomics has advanced significantly in the past 10 years with important developments
related to hardware, software and methodologies and an increasing complexity of …