Metabolomic profiles generated using the IROA TruQuant platform result in reproducible differentiation of sample mixtures in a multi-lab “round robin” study

ABSTRACT:

The clinical utility of metabolomics hinges on reproducibly detecting differences between groups across analytical platforms. No multi-lab studies, to date, have attempted to evaluate the ability to deconvolve heterogeneous mixtures, which reflect mixtures of cell types present in clinical samples, using metabolomics profiles. We evaluated the reproducibility of the TruQuant metabolomics approach in eight labs in the US and UK. Each lab received identical aliquots of 32 samples, containing known mixtures of beef, pork, and chicken extracts of varying homogeneity levels. Metabolomic profiles were generated for each mixture in duplicate using each lab’s LC-MS methods. Anonymized, processed data were analyzed centrally. Despite differences in the number of features detected (560 – 1727 features), all labs correctly differentiated sample mixture types via unsupervised approaches. Pearson correlations of suppression corrected metabolite abundances, compared between lab pairs, were strong (mean = 0.87 ± 0.12 across all labs). Overall, this “round-robin” study design and data show that metabolomic analyses with appropriate study designs and controls enable reproducible conclusions across labs and platforms.

INSTRUMENT(S): Liquid Chromatography MS - negative - reverse-phase, Liquid Chromatography MS - positive - reverse-phase

PROVIDER: MTBLS15676 | MetaboLights | 2026-09-28

REPOSITORIES: MetaboLights