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Metabolomics 2022 workshop report: state of QA/QC best practices in LC-MS-based untargeted metabolomics, informed through mQACC community engagement initiatives

Authors: Dunn WBKuligowski JLewis MMosley JDSchock TUlmer Holland CZanetti KAVuckovic D


Affiliations

1 Department of Biochemistry, Cells and Systems Biology, Centre for Metabolomics Research, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, Biosciences Building, Crown Street, Liverpool, L69 7ZB, UK. warwick.dunn@liverpool.ac.uk.
2 Neonatal Research Group, Health Research Institute La Fe, Avda. Fernando Abril Martorell 106, 46026, Valencia, Spain.
3 Bruker Life Sciences Mass Spectrometry, Bruker UK Ltd, Welland House, Longwood Close, Coventry, CV4 8AE, UK.
4 Center for Environmental Measurement and Modeling, Environmental Protection Agency, Athens, GA, USA.
5 Chemical Sciences Division, National Institute of Standards and Technology (NIST), Charleston, SC, 29412, USA.
6 Eastern Laboratory, Office of Public Health Science (OPHS), Food Safety and Inspection Service (FSIS),, U.S. Department of Agriculture (USDA), Athens, GA, 30605, USA.
7 Office of Nutrition Research, Division of Program Coordination, Planning, and Strategic Initiatives, Office of the Director, National Institutes of Health, Bethesda, MD, USA.
8 Department of Chemistry and Biochemistry, Concordia University, 7141 Sherbrooke Street West, Montreal, QC, H4B 1R6, Canada.

Description

Introduction: The Metabolomics Quality Assurance and Quality Control Consortium (mQACC) organized a workshop during the Metabolomics 2022 conference.

Objectives: The goal of the workshop was to disseminate recent findings from mQACC community-engagement efforts and to solicit feedback about a living guidance document of QA/QC best practices for untargeted LC-MS metabolomics.

Methods: Four QC-related topics were presented.

Results: During the discussion, participants expressed the need for detailed guidance on a broad range of QA/QC-related topics accompanied by use-cases.

Conclusions: Ongoing efforts will continue to identify, catalog, harmonize, and disseminate QA/QC best practices, including outreach activities, to establish and continually update QA/QC guidelines.


Keywords: Analytical batchBlanksInternal standardsLiquid chromatography-mass spectrometry (LC-MS)MetabolomicsQuality control (QC) samplesSystem suitability testing (SST)


Links

PubMed: https://pubmed.ncbi.nlm.nih.gov/37940740/

DOI: 10.1007/s11306-023-02060-4