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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

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Abstract

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.

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Data availability

All data are included in the manuscript.

Code availability

Not applicable.

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Acknowledgements

The authors would like to thank the Metabolomics Society and the Metabolomics 2022 scientific organising committee for the opportunity to host the workshop.

Funding

The work presented did not receive any funding. JK acknowledges financial support received from Carlos III Health Institute (Spain) (grant number CPII21/00003). DV acknowledges financial support from Fonds de Recherche du Quebec—Sante (FRQS) (Chercheur Boursier Junior 2 grant 312947).

Author information

Authors and 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 B. Dunn

  2. Neonatal Research Group, Health Research Institute La Fe, Avda. Fernando Abril Martorell 106, 46026, Valencia, Spain

    Julia Kuligowski

  3. Bruker Life Sciences Mass Spectrometry, Bruker UK Ltd, Welland House, Longwood Close, Coventry, CV4 8AE, UK

    Matthew Lewis

  4. Center for Environmental Measurement and Modeling, Environmental Protection Agency, Athens, GA, USA

    Jonathan D. Mosley

  5. Chemical Sciences Division, National Institute of Standards and Technology (NIST), Charleston, SC, 29412, USA

    Tracey Schock

  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

    Candice Ulmer Holland

  7. Office of Nutrition Research, Division of Program Coordination, Planning, and Strategic Initiatives, Office of the Director, National Institutes of Health, Bethesda, MD, USA

    Krista A. Zanetti

  8. Department of Chemistry and Biochemistry, Concordia University, 7141 Sherbrooke Street West, Montreal, QC, H4B 1R6, Canada

    Dajana Vuckovic

Authors
  1. Warwick B. Dunn
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  2. Julia Kuligowski
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  3. Matthew Lewis
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  4. Jonathan D. Mosley
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  5. Tracey Schock
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  6. Candice Ulmer Holland
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  7. Krista A. Zanetti
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  8. Dajana Vuckovic
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Consortia

Metabolomics Quality Assurance and Quality Control Consortium (mQACC)

Contributions

All authors contributed equally to the organization of the workshop. The manuscript draft was prepared by JK and WBD and all authors commented and edited the manuscript and approved submission.

Corresponding author

Correspondence to Warwick B. Dunn.

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Competing interests

The authors declare no competing interests.

Disclaimer

This article reflects the views of the author(s) and does not necessarily represent the views or policies of the U.S. Environmental Protection Agency (EPA) nor the National Institutes of Health (NIH). Certain commercial equipment, instruments, trade names, products or materials are identified in this paper in order to specify the experimental procedure adequately. Such identification is not intended to imply or convey and should not be interpreted as conveying official approval, recommendation or endorsement by the National Institute of Standards and Technology, the EPA, or the NIH, nor is it intended to imply that the materials or equipment identified are necessarily the best available for the purpose.

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Dunn, W.B., Kuligowski, J., Lewis, M. et al. Metabolomics 2022 workshop report: state of QA/QC best practices in LC–MS-based untargeted metabolomics, informed through mQACC community engagement initiatives. Metabolomics 19, 93 (2023). https://doi.org/10.1007/s11306-023-02060-4

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