Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC)

Metabolomics, vol. 18, pp. 24

Abstract

INTRODUCTION: The metabolomics quality assurance and quality control consortium (mQACC) is enabling the identification, development, prioritization, and promotion of suitable reference materials (RMs) to be used in quality assurance (QA) and quality control (QC) for untargeted metabolomics research. OBJECTIVES: This review aims to highlight current RMs, and methodologies used within untargeted metabolomics and lipidomics communities to ensure standardization of results obtained from data analysis, interpretation and cross-study, and cross-laboratory comparisons. The essence of the aims is also applicable to other 'omics areas that generate high dimensional data. RESULTS: The potential for game-changing biochemical discoveries through mass spectrometry-based (MS) untargeted metabolomics and lipidomics are predicated on the evolution of more confident qualitative (and eventually quantitative) results from research laboratories. RMs are thus critical QC tools to be able to assure standardization, comparability, repeatability and reproducibility for untargeted data analysis, interpretation, to compare data within and across studies and across multiple laboratories. Standard operating procedures (SOPs) that promote, describe and exemplify the use of RMs will also improve QC for the metabolomics and lipidomics communities. CONCLUSIONS: The application of RMs described in this review may significantly improve data quality to support metabolomics and lipidomics research. The continued development and deployment of new RMs, together with interlaboratory studies and educational outreach and training, will further promote sound QA practices in the community.

Authors 26

1. Katrice A. Lippa

   National Institute of Standards and Technology

   Affiliation as printed

   Chemical Sciences Division, National Institute of Standards and Technology (NIST), Gaithersburg, MD, 20899, USA

2. Juan J. Aristizabal‐Henao

   University of Florida · Berg (United States)

   Affiliation as printed

   BERG LLC, 500 Old Connecticut Path, Building B, 3rd Floor, Framingham, MA, 01710, USA

   Department of Physiological Sciences, Center for Environmental and Human Toxicology, College of Veterinary Medicine, University of Florida, Gainesville, FL, 32610, USA

3. Richard D. Beger

   National Center for Toxicological Research · United States Food and Drug Administration

   Affiliation as printed

   Division of Systems Biology, National Center for Toxicological Research, U.S. Food and Drug Administration (FDA), Jefferson, AR, 72079, USA

4. John A. Bowden

   University of Florida

   Affiliation as printed

   Department of Physiological Sciences, Center for Environmental and Human Toxicology, College of Veterinary Medicine, University of Florida, Gainesville, FL, 32610, USA

5. Corey D. Broeckling

   Colorado State University

   Affiliation as printed

   Analytical Resources Core: Bioanalysis and Omics Center, Colorado State University, Fort Collins, CO, 80523, USA

6. Chris Beecher

   Mécanismes physiopathologiques et conséquences des calcifications cardiovasculaires · Institut Interdisciplinaire de l'Innovation

   Affiliation as printed

   IROA Technologies, Chapel Hill, NC, 27517, USA

7. William C. Davis

   National Institute of Standards and Technology

   Affiliation as printed

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

8. Warwick B. Dunn

   University of Birmingham

   Affiliation as printed

   School of Biosciences, Institute of Metabolism and Systems Research and Phenome Centre Birmingham, University of Birmingham, Birmingham, B15, 2TT, UK

9. Roberto Flores

   National Institutes of Health · Office of the Director · Division of Program Coordination Planning and Strategic Initiatives

   Affiliation as printed

   Division of Program Coordination, Planning and Strategic Initiatives, Office of Nutrition Research, Office of the Director, National Institutes of Health (NIH), Bethesda, MD, 20892, USA

10. Royston Goodacre

    University of Liverpool

    Affiliation as printed

    Department of Biochemistry and Systems Biology, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, BioSciences Building, Crown St., Liverpool, L69 7ZB, UK

11. Gonçalo J. Gouveia

    University of Georgia

    Affiliation as printed

    Department of Biochemistry and Molecular Biology, University of Georgia, Athens, GA, 30602, USA

12. Amy C. Harms Aachen Biomedical Metabolomics Facility Leiden

    Leiden University

    Affiliation as printed

    Biomedical Metabolomics Facility Leiden, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands

13. Thomas Härtung

    Johns Hopkins University

    Affiliation as printed

    Bloomberg School of Public Health, Environmental Health and Engineering, Johns Hopkins University, Baltimore, MD, 21205, USA

14. Christina M. Jones

    National Institute of Standards and Technology

    Affiliation as printed

    Chemical Sciences Division, National Institute of Standards and Technology (NIST), Gaithersburg, MD, 20899, USA

15. Matthew R. Lewis

    Imperial College London

    Affiliation as printed

    National Phenome Centre, Imperial College London, London, SW7 2AZ, UK

16. Ioanna Ntai

    Thermo Fisher Scientific (United States)

    Affiliation as printed

    Thermo Fisher Scientific, San Jose, CA, 95134, USA

17. Andrew J. Percy

    Cambridge Isotope Laboratories, Inc. (United States)

    Affiliation as printed

    Cambridge Isotope Laboratories, Inc., Tewksbury, MA, 01876, USA

18. Dan Raftery

    University of Washington

    Affiliation as printed

    Northwest Metabolomics Research Center, University of Washington, Seattle, WA, 98109, USA

19. Tracey B. Schock

    National Institute of Standards and Technology

    Affiliation as printed

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

20. Jinchun Sun

    National Center for Toxicological Research · United States Food and Drug Administration

    Affiliation as printed

    Division of Systems Biology, National Center for Toxicological Research, U.S. Food and Drug Administration (FDA), Jefferson, AR, 72079, USA

21. Georgios A. Theodoridis

    Aristotle University of Thessaloniki

    Affiliation as printed

    Department of Chemistry, Aristotle University, 54124, Thessaloniki, Greece

22. Fariba Tayyari

    University of Iowa

    Affiliation as printed

    Department of Internal Medicine, University of Iowa, Iowa City, IA, 52242, USA

23. Federico Tesio Torta

    National University of Singapore

    Affiliation as printed

    Centre for Life Sciences, National University of Singapore, 28 Medical Drive, Singapore, 117456, Singapore

24. Candice Zena Ulmer

    Centers for Disease Control and Prevention

    Affiliation as printed

    Centers for Disease Control and Prevention (CDC), Atlanta, GA, 30341, USA

25. Ian D. Wilson

    Imperial College London

    Affiliation as printed

    Computational & Systems Medicine, Imperial College, Exhibition Rd, London, SW7 2AZ, UK

26. Baljit K. Ubhi corresponding
    Affiliation as printed

    MOBILion Systems Inc., 4 Hillman Drive Suite 130, Chadds Ford, PA, 19317, USA. drbkubhi@gmail.com

    MOBILion Systems Inc., 4 Hillman Drive Suite 130, Chadds Ford, PA, 19317, USA