Can we Trust Untargeted Metabolomics: Results of the Metabo-ring Initiative, a Large-scale Multi-instruments Inter-laboratoire Study
COURANT, Frédérique
Laboratoire d'étude des Résidus et Contaminants dans les Aliments [LABERCA]
Laboratoire d'étude des Résidus et Contaminants dans les Aliments [LABERCA]
< Réduire
Laboratoire d'étude des Résidus et Contaminants dans les Aliments [LABERCA]
Laboratoire d'étude des Résidus et Contaminants dans les Aliments [LABERCA]
Langue
en
Autre communication scientifique (congrès sans actes - poster - séminaire...)
Ce document a été publié dans
9. Annual Conference of the Metabolomics Society, 2013-07-01, Glasgow. 2013p. np
Résumé en anglais
The metabo-ring initiative brought together five nuclear magnetic resonance instruments (NMR) and 11different mass spectrometers with the objective of assessing the reliability of untargeted metabolomics approaches in ...Lire la suite >
The metabo-ring initiative brought together five nuclear magnetic resonance instruments (NMR) and 11different 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 supplementedor not with vitamin D. The spectral information from each instrument was assembled into separate statisticalblocks. 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.< Réduire
Mots clés en anglais
Inter-laboratory
Untargeted metabolomics
Mass spectrometry
Nuclear magnetic resonance
Metabolic fingerprinting
Origine
Importé de halUnités de recherche