Long-Term Metabolomics Reference Material

Goncalo J. Gouveia, Amanda O. Shaver, Brianna M. Garcia, Alison M. Morse, Erik C. Andersen, Arthur S. Edison*, Lauren M. McIntyre

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


The use of quality control samples in metabolomics ensures data quality, reproducibility, and comparability between studies, analytical platforms, and laboratories. Long-term, stable, and sustainable reference materials (RMs) are a critical component of the quality assurance/quality control (QA/QC) system; however, the limited selection of currently available matrix-matched RMs reduces their applicability for widespread use. To produce an RM in any context, for any matrix that is robust to changes over the course of time, we developed iterative batch averaging method (IBAT). To illustrate this method, we generated 11 independently grownEscherichia colibatches and made an RM over the course of 10 IBAT iterations. We measured the variance of these materials by nuclear magnetic resonance (NMR) and showed that IBAT produces a stable and sustainable RM over time. ThisE. coliRM was then used as a food source to produce aCaenorhabditis elegansRM for a metabolomics experiment. The metabolite extraction of this material, alongside 41 independently grown individualC. eleganssamples of the same genotype, allowed us to estimate the proportion of sample variation in preanalytical steps. From the NMR data, we found that 40% of the metabolite variance is due to the metabolite extraction process and analysis and 60% is due to sample-to-sample variance. The availability of RMs in untargeted metabolomics is one of the predominant needs of the metabolomics community that reach beyond quality control practices. IBAT addresses this need by facilitating the production of biologically relevant RMs and increasing their widespread use.

Original languageEnglish (US)
Pages (from-to)9193-9199
Number of pages7
JournalAnalytical Chemistry
Issue number26
StatePublished - Jul 6 2021

ASJC Scopus subject areas

  • Analytical Chemistry


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