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Redefining Reference Materials for the Evolving Metabolomics Landscape

Published

Author(s)

Tracey Johnston, Fabio Casu, Ashley Russell, Hariharan Iyer, Kristine Gierz, William Davis, Amanda Bayless

Abstract

The evolution of metabolomics, a field aimed at comprehensively measuring the chemical composition of a biological matrix, fundamentally reshaped the landscape of analytical measurement reliability. The 2011 release of Standard Reference Material (SRM) 1950 – Metabolites in Frozen Human Plasma by the National Institute of Standards and Technology (NIST) marked the first reference material providing certification for 45 analytes to address the measurement precision of chemically complex biological matrices. Assigning high-order values to this many compounds is highly resource-intensive for a National Metrology Institute. Furthermore, certified values for individual metabolites cannot resolve the broad challenges associated with sample processing, analytical measurement, and data processing in untargeted workflows. The metabolomics community recognized the potential for SRM 1950 to serve as a benchmark material for method development and technical quality control (QC) rather than strictly for quantification. Recognizing this consumer-driven shift, NIST has launched a novel reference material (RM) development strategy designed to provide accessible, fit-for-purpose materials. This article describes the transition toward matrix-specific QC Suites featuring phenotypically distinct metabolite profiles . Here, we introduce the first generation of these materials including a human plasma suite, urine suite, liver suite, and fecal material. By prioritizing efficient production and embracing a community engagement model for consensus-based deep characterization, these suites offer a reliable tool for laboratory comparisons, instrument qualification, software development, and training. This new class of RMs underpins the next phase of measurement reliability, complementing traditional measurand certification while supporting the diverse needs of comprehensive metabolic profiling.
Citation
Analytical and Bioanalytical Chemistry

Keywords

Metabolomic, Metrology, Reference Materials, Coefficient of Disagreement, Quality Control

Citation

Johnston, T. , Casu, F. , Russell, A. , Iyer, H. , Gierz, K. , Davis, W. and Bayless, A. (2026), Redefining Reference Materials for the Evolving Metabolomics Landscape, Analytical and Bioanalytical Chemistry, [online], https://doi.org/10.1007/s00216-026-06769-8, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=962343 (Accessed September 4, 2026)
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Created September 2, 2026, Updated September 3, 2026
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