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Establishing a framework for best practices for quality assurance and quality control in untargeted metabolomics



Tracey Schock, Jonathan Mosley, Chris Beecher, Warwick Dunn, Julia Kuligowski, Matthew Lewis, Georgios Theodoridis, Candice Ulmer, Dajana Vuckovic, Ian Wilson, Krista Zanetti


Background: Quality assurance (QA) and quality control (QC) practices are key tenets that facilitate study and data quality across all applications of untargeted metabolomics. Such important practices will strengthen this field and accelerate its success. The Best Practices Working group within the Metabolomics Quality Assurance and Quality Control Consortium (mQACC) focuses on the standardization of QA/QC practices and protocols with community-driven activities that aim to identify, catalogue, harmonize and disseminate current best practices in untargeted metabolomics. Aim of Review: A present goal of the Best Practices Working Group is to develop a working strategy, or roadmap, that guides actions and progress to provide a framework in which mQACC can harmonize and disseminate current best QA/QC practice guidance and encourage widespread adoption of these essential QA/QC activities. Key Scientific Concepts of Review: Community engagement QA/QC information gathering activities have been occurring through conference workshops, interactive forum discussions, and community surveys. Participant input and discussions have defined the principal QC stages of a metabolomics study, each involving a multitude of activities. We propose these stages as the framework for QA/QC best practice recommendations. The ultimate product of such endeavors is a community-based "living guidance" document of current QA/QC best practices for untargeted metabolomics that will grow and change with the evolution of the field.


untargeted metabolomics, quality assurance (QA), quality control (QC), liquid chromatography – mass spectrometry (LC-MS)


Schock, T. , Mosley, J. , Beecher, C. , Dunn, W. , Kuligowski, J. , Lewis, M. , Theodoridis, G. , Ulmer, C. , Vuckovic, D. , Wilson, I. and Zanetti, K. (2024), Establishing a framework for best practices for quality assurance and quality control in untargeted metabolomics, Metabolomics, [online],, (Accessed April 17, 2024)
Created February 12, 2024