Can we Trust Untargeted Metabolomics: Results of the Metabo-ring Initiative, a Large-scale Multi-instruments Inter-laboratoire Study - CNRS - Centre national de la recherche scientifique Accéder directement au contenu
Article Dans Une Revue Metabolomics Année : 2015

Can we Trust Untargeted Metabolomics: Results of the Metabo-ring Initiative, a Large-scale Multi-instruments Inter-laboratoire Study

Alexandre Verdu
  • Fonction : Auteur
Bernard Lyan
Carole Migné
Catherine Defoort
  • Fonction : Auteur
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Cécile Canlet
Claudine Manach
Daniel Jacob
Estelle Pujos-Guillot
Fabien Jourdan
Franck Giacomoni
Jean-Claude Tabet
Douglas Rutledge

Résumé

The metabo-ring initiative brought together five nuclear magnetic resonance instruments (NMR) and 11 different mass spectrometers with the objective of assessing the reliability of untargeted metabolomics approaches in obtaining comparable metabolomics profiles. This was estimated by measuring the proportion of common spectral information extracted from the different LCMS and NMR platforms. Biological samples obtained from 2 different conditions were analysed by the partners using their own inhouse protocols. Test #1 examined urine samples from adult volunteers either spiked or not spiked with 32 metabolite standards. Test #2 involved a low biological contrast situation comparing the plasma of rats fed a diet either supplemented or not with vitamin D. The spectral information from each instrument was assembled into separate statistical blocks. Correlations between blocks (e.g., instruments) were examined (RV coefficients) along with the structure of the common spectral information (common components and specific weights analysis). In addition, in Test #1, an outlier individual was blindly introduced, and its identification by the various platforms was evaluated. Despite large differences in the number of spectral features produced after post-processing and the heterogeneity of the analytical conditions and the data treatment, the spectral information both within (NMR and LCMS) and across methods (NMR vs. LCMS) was highly convergent (from 64 to 91 % on average). No effect of the LCMS instrumentation (TOF, QTOF, LTQ-Orbitrap) was noted. The outlier individual was best detected and characterised by LCMS instruments. In conclusion, untargeted metabolomics analyses report consistent information within and across instruments of various technologies, even without prior standardisation.
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hal-01123343 , version 1 (23-05-2018)

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Jean-Charles Martin, Mathieu Maillot, Gerard Mazerolles, Alexandre Verdu, Bernard Lyan, et al.. Can we Trust Untargeted Metabolomics: Results of the Metabo-ring Initiative, a Large-scale Multi-instruments Inter-laboratoire Study. Metabolomics, 2015, 11 (4), pp.807-821. ⟨10.1007/s11306-014-0740-0⟩. ⟨hal-01123343⟩
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