Chapter 16 - Mass spectrometry and NMR spectroscopy based quantitative metabolomics

Abstract

Quantitative metabolomics, in which known metabolites in complex biological matrices are quantified, before subjecting them to further analysis using statistical methods, is gaining increased importance in the rapidly growing field of metabolomics. Quantitative metabolomics promises reliable insights into systems biology through accurate metabolite absolute or relative concentration measurements. The two most commonly utilized analytical methods in quantitative metabolomics are targeted mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. Numerous approaches within these two major methods provide complementary as well as supplementary information on the concentrations of metabolites, their ranges and changes in complex biological mixtures. Current technological advancements in MS and NMR combined with new experimental and computational methods enable routine quantitative analysis of hundreds of metabolites. This chapter focuses on advances in MS and NMR methods emphasizing analysis of metabolite concentrations for quantitative metabolomics.