Liquid chromatography–mass spectrometry based global metabolite profiling: A review

Untargeted, global metabolite profiling (often described as metabonomics or metabolomics) represents an expanding research topic and is, potentially, a major pillar for systems biology studies. To obtain holistic metabolic profiles from complex samples, such as biological fluids or tissue extracts, requires powerful, high resolution and information-rich analytical methods and for this spectroscopic technologies are generally used. Mass spectrometry, coupled to liquid chromatography (LC–MS), is increasingly being used for such investigations as a result of the significant advances in both technologies over the past decade. Here we try to critically review the topic of LC–MS-based global metabolic profiling and describe and compare the results offered by different analytical strategies and technologies. This review highlights the current challenges, limitations and opportunities of the current methodology.

Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slideHighlights► LC–MS is increasingly used in global metabolite profiling despite stability issues. ► Data extraction and marker identification remain at the centre of interest. ► Pre-analytical issues and sample preparation are also important factors. ► Method validation and protocol harmonisation are needed to obtain quality data. ► Large scale efforts and their outcome (e.g. HMDB) provide breakthrough paradigms.