Towards quality assurance and quality control in untargeted metabolomics studies

Richard D Beger; Warwick B Dunn; Abbas Bandukwala; Bianca Bethan; David Broadhurst; Clary B Clish; Surendra Dasari; Leslie Derr; Annie Evans; Steve Fischer; Thomas Flynn; Thomas Hartung; David Herrington; Richard Higashi; Ping-Ching Hsu; Christina Jones; Maureen Kachman; Helen Karuso; Gary Kruppa; Katrice Lippa; Padma Maruvada; Jonathan Mosley; Ioanna Ntai; Claire O'Donovan; Mary Playdon; Daniel Raftery; Daniel Shaughnessy; Amanda Souza; Timothy Spaeder; Barbara Spalholz; Fariba Tayyari; Baljit Ubhi; Mukesh Verma; Tilman Walk; Ian Wilson; Keren Witkin; Daniel W Bearden; Krista A Zanetti

doi:10.1007/s11306-018-1460-7

Towards quality assurance and quality control in untargeted metabolomics studies

Metabolomics. 2019 Jan 3;15(1):4. doi: 10.1007/s11306-018-1460-7.

Authors

Richard D Beger¹, Warwick B Dunn², Abbas Bandukwala³, Bianca Bethan⁴, David Broadhurst⁵, Clary B Clish⁶, Surendra Dasari⁷, Leslie Derr⁸, Annie Evans⁹, Steve Fischer¹⁰, Thomas Flynn³, Thomas Hartung¹¹, David Herrington¹², Richard Higashi¹³, Ping-Ching Hsu¹⁴, Christina Jones¹⁵, Maureen Kachman¹⁶, Helen Karuso¹⁷, Gary Kruppa¹⁸, Katrice Lippa¹⁵, Padma Maruvada¹⁹, Jonathan Mosley²⁰, Ioanna Ntai²¹, Claire O'Donovan²², Mary Playdon²³, Daniel Raftery²⁴, Daniel Shaughnessy²⁵, Amanda Souza²¹, Timothy Spaeder⁹, Barbara Spalholz²³, Fariba Tayyari²⁶, Baljit Ubhi²⁷, Mukesh Verma²³, Tilman Walk⁴, Ian Wilson²⁸, Keren Witkin²³, Daniel W Bearden^{29

30}, Krista A Zanetti³¹

Affiliations

¹ National Center for Toxicological Research, US Food and Drug Administration, Jefferson, USA. Richard.Beger@fda.hhs.gov.
² School of Biosciences, Phenome Centre Birmingham and Institute for Metabolism and Systems Research, University of Birmingham, Birmingham, B15 2TT, UK. w.dunn@bham.ac.uk.
³ Food and Drug Administration, Silver Spring, MD, USA.
⁴ Metanomics Health GmBH, Berlin, Germany.
⁵ Edith Cowan University, Perth, Australia.
⁶ Broad Institute of MIT and Harvard, Cambridge, MA, USA.
⁷ Mayo Clinic, Rochester, MN, USA.
⁸ Office of the Director, National Institutes of Health, Bethesda, MD, USA.
⁹ Metabolon, Research Triangle Park, NC, USA.
¹⁰ Agilent Technologies, Santa Clara, CA, USA.
¹¹ Johns Hopkins School of Public Health, Baltimore, MD, USA.
¹² Wake Forest University, Winston-Salem, NC, USA.
¹³ University of Kentucky, Lexington, KY, USA.
¹⁴ University of Arkansas Medical Sciences, Little Rock, AR, USA.
¹⁵ National Institute of Standards and Technology, Gaithersburg, MD, USA.
¹⁶ University of Michigan, Ann Arbor, MI, USA.
¹⁷ Biocrates Inc., Innsbruck, Austria.
¹⁸ Bruker Daltronics, Billerica, MA, USA.
¹⁹ National Institute of Diabetes and Digestive and Kidney Disorders, Bethesda, MD, USA.
²⁰ National Exposure Research Laboratory, US Environmental Protection Agency, Athens, GA, USA.
²¹ Thermo Fisher Scientific, San Jose, CA, USA.
²² European Molecular Biology Laboratory -European Bioinformatics Institute, Hinxton, UK.
²³ National Cancer Institute, Rockville, MD, USA.
²⁴ University of Washington, Seattle, WA, USA.
²⁵ National Institute of Environmental Health, Durham, NC, USA.
²⁶ University of Georgia, Athens, GA, USA.
²⁷ AB Sciex, Framingham, MA, USA.
²⁸ Imperial College London, London, UK.
²⁹ National Institute of Standards and Technology, Charleston, SC, USA.
³⁰ Ichthus Unlimited, LLC, 109, S. 32nd Street, West Des Moines, IA, USA.
³¹ National Cancer Institute, Rockville, MD, USA. zanettik@mail.nih.gov.

Abstract

We describe here the agreed upon first development steps and priority objectives of a community engagement effort to address current challenges in quality assurance (QA) and quality control (QC) in untargeted metabolomic studies. This has included (1) a QA and QC questionnaire responded to by the metabolomics community in 2015 which recommended education of the metabolomics community, development of appropriate standard reference materials and providing incentives for laboratories to apply QA and QC; (2) a 2-day 'Think Tank on Quality Assurance and Quality Control for Untargeted Metabolomic Studies' held at the National Cancer Institute's Shady Grove Campus and (3) establishment of the Metabolomics Quality Assurance and Quality Control Consortium (mQACC) to drive forward developments in a coordinated manner.

Keywords: Community engagement; Quality assurance (QA); Quality control (QC); Reporting metrics; Test materials.

MeSH terms

Humans
Laboratories
Metabolomics / methods*
Metabolomics / standards*
Quality Control
Quality Improvement

Abstract

MeSH terms

Grants and funding