Small molecules within biological systems provide powerful insights into the biological roles, processes and states of organisms. Metabolomics is the study of the concentrations, structures and interactions of these thousands of small molecules, collectively known as the metabolome. Metabolomics is at the interface between chemistry, biology, statistics and computer science, requiring multidisciplinary skillsets. This presents unique challenges for researchers to fully utilize the information produced and to capture its potential diagnostic power. A good understanding of study design, sample preparation, analysis methods and data analysis is essential to get the right answers for the right questions. We outline the current state of the art, benefits and challenges of metabolomics to create an understanding of metabolomics studies from the experimental design to data analysis.
Keywords: community standards; data processing; design of experiments; mass spectrometry; metabolites; metabolome; metabolomics; nuclear magnetic resonance; small molecules.