Targeted full-scan LC-MS metabolomics: simultaneous quantitation of knowns and feature discovery provide the best of both worlds

Abstract Mass spectrometry (MS) metabolomics, the direct measurement of the biochemical content of cells, tissues and biofluids by GC- or LC-MS, is a maturing discipline with the potential to quantitate and identify a wide range of biological small molecules. Measurement of metabolic state is orthogonal to genomics and proteomics, providing a unique and complementary view of biological state. Metabolomic analyses cover a broad and still expanding chemical space; analytical tools are needed for quantitation of known metabolites, and discovery and characterization of new compounds. Triple quadrupole (QqQ) mass spectrometers operating in multiple reaction monitoring (MRM) mode play a major role...