Untargeted Metabolomics

The role of MS and NMR technologies in holistic metabolite profiling

The two major analytical techniques used for global metabolic profiling are proton nuclear magnetic resonanse (1H NMR) spectroscopy and mass spectrometry (MS). MS has become the key technology in holistic metabolite profiling due to its sensitivity and widespread availability.

Generally LCMS-based metabolic profiling in metabolomics involves the use of wide polarity static phases and gradients in LC aiming to cover as much of the “chromatographic space” as possible, combined with full scan MS and subsequent generation of peak tables using peak picking algorithms. The following figure shows an untargeted metabolomics workflow.

GC-MS untargeted profiling provides superior data quality for the detection of smaller molecules.

NMR provides robust data for the most abundant metabolites.

BIOMIC_AUTh team can provide analytical solution in all three analytical modes on LC-HRMS (QTOF), GC-MS and GC-MS/MS and NMR 500 and 600 MHz.

Workflow for LC–MS untargeted metabolomics (MVA: multivariate analysis)
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