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Forcisi, S. ; Moritz, F. ; Kanawati, B. ; Tziotis, D. ; Lehmann, R.* ; Schmitt-Kopplin, P.

Liquid chromatography-mass spectrometry in metabolomics research: Mass analyzers in ultra high pressure liquid chromatography coupling.

J. Chromatogr. A 1292, 51-65 (2013)
DOI PMC
Open Access Green as soon as Postprint is submitted to ZB.
The present review gives an introduction into the concept of metabolomics and provides an overview of the analytical tools applied in non-targeted metabolomics with a focus on liquid chromatography (LC). LC is a powerful analytical tool in the study of complex sample matrices. A further development and configuration employing Ultra-High Pressure Liquid Chromatography (UHPLC) is optimized to provide the largest known liquid chromatographic resolution and peak capacity. Reasonably UHPLC plays an important role in separation and consequent metabolite identification of complex molecular mixtures such as bio-fluids. The most sensitive detectors for these purposes are mass spectrometers. Almost any mass analyzer can be optimized to identify and quantify small pre-defined sets of targets; however, the number of analytes in metabolomics is far greater. Optimized protocols for quantification of large sets of targets may be rendered inapplicable. Results on small target set analyses on different sample matrices are easily comparable with each other. In non-targeted metabolomics there is almost no analytical method which is applicable to all different matrices due to limitations pertaining to mass analyzers and chromatographic tools. The specifications of the most important interfaces and mass analyzers are discussed. We additionally provide an exemplary application in order to demonstrate the level of complexity which remains intractable up to date. The potential of coupling a high field Fourier Transform Ion Cyclotron Resonance Mass Spectrometer (ICR-FT/MS), the mass analyzer with the largest known mass resolving power, to UHPLC is given with an example of one human pre-treated plasma sample. This experimental example illustrates one way of overcoming the necessity of faster scanning rates in the coupling with UHPLC. The experiment enabled the extraction of thousands of features (analytical signals). A small subset of this compositional space could be mapped into a mass difference network whose topology shows specificity toward putative metabolite classes and retention time.
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Publication type Article: Journal article
Document type Review
Corresponding Author
Keywords LC-MS; ICR-FT/MS; TOF-MS; Non-targeted metabolomics; Mass difference networking; TIME-OF-FLIGHT; MAGNETIC-RESONANCE-SPECTROSCOPY; HIGH-RESOLUTION H-1-NMR; LC-MS; ELECTROSPRAY-IONIZATION; CAPILLARY-ELECTROPHORESIS; HYDROPHILIC INTERACTION; ION-TRAP; METABOLITE IDENTIFICATION; COMPARING CAPILLARY
ISSN (print) / ISBN 0021-9673
e-ISSN 1873-3778
Journal Journal of Chromatography A
Quellenangaben Volume: 1292, Issue: , Pages: 51-65 Article Number: , Supplement: ,
Publisher Elsevier
Non-patent literature Publications
Reviewing status Peer reviewed
Institute(s) Research Unit Analytical BioGeoChemistry (BGC)