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

hal.structure.identifierNutrition, obésité et risque thrombotique [NORT]
dc.contributor.authorMARTIN, Jean-Charles
hal.structure.identifierNutrition, obésité et risque thrombotique [NORT]
dc.contributor.authorMAILLOT, Mathieu
hal.structure.identifierSciences Pour l'Oenologie [SPO]
dc.contributor.authorMAZEROLLES, Gerard
hal.structure.identifierbruker
dc.contributor.authorVERDU, Alexandre
hal.structure.identifierUnité de Nutrition Humaine [UNH]
dc.contributor.authorLYAN, Bernard
hal.structure.identifierUnité de Nutrition Humaine [UNH]
dc.contributor.authorMIGNÉ, Carole
hal.structure.identifierNutrition, obésité et risque thrombotique [NORT]
dc.contributor.authorDEFOORT, Catherine
hal.structure.identifierMetaToul AXIOM [E20]
dc.contributor.authorCANLET, Cécile
hal.structure.identifierLaboratoire d'Etude du Métabolisme des Médicaments [LEMM]
dc.contributor.authorJUNOT, Christophe
hal.structure.identifierInstitute for Health and Consumer Protection
dc.contributor.authorGUILLOU, Claude
hal.structure.identifierUnité de Nutrition Humaine [UNH]
dc.contributor.authorMANACH, Claudine
hal.structure.identifierBiologie du fruit et pathologie [BFP]
dc.contributor.authorJACOB, Daniel
hal.structure.identifierIngénierie, Procédés, Aliments [GENIAL]
dc.contributor.authorJOUAN-RIMBAUD BOUVERESSE, Delphine
hal.structure.identifierIngénierie, Procédés, Aliments [GENIAL]
dc.contributor.authorRATHAHAO-PARIS, Estelle
hal.structure.identifierUnité de Nutrition Humaine [UNH]
dc.contributor.authorPUJOS-GUILLOT, Estelle
hal.structure.identifierMétabolisme et Xénobiotiques [ToxAlim-MeX]
dc.contributor.authorJOURDAN, Fabien
hal.structure.identifierUnité de Nutrition Humaine [UNH]
dc.contributor.authorGIACOMONI, Franck
hal.structure.identifierLaboratoire d'étude des Résidus et Contaminants dans les Aliments [LABERCA]
hal.structure.identifierLaboratoire d'étude des Résidus et Contaminants dans les Aliments [LABERCA]
dc.contributor.authorCOURANT, Frédérique
hal.structure.identifierNutrition, obésité et risque thrombotique [NORT]
dc.contributor.authorFAVE, Gaelle
hal.structure.identifierInstitute of Food Research [Norwich]
dc.contributor.authorLE GALL, Gwenaëlle
hal.structure.identifierInstitute for Health and Consumer Protection
dc.contributor.authorCHASSAIGNE, Hubert
hal.structure.identifierInstitut Parisien de Chimie Moléculaire [IPCM]
dc.contributor.authorTABET, Jean-Claude
hal.structure.identifierUnité de Nutrition Humaine [UNH]
dc.contributor.authorMARTIN, Jean-Francois
hal.structure.identifierLaboratoire d'étude des Résidus et Contaminants dans les Aliments [LABERCA]
dc.contributor.authorANTIGNAC, Jean-Philippe
hal.structure.identifierInstitut des Sciences Moléculaires de Marseille [ISM2]
dc.contributor.authorSHINTU, Laetitia
hal.structure.identifierInstitute of Food Research [Norwich]
dc.contributor.authorDEFERNEZ, Marianne
hal.structure.identifierInstitute of Food Research [Norwich]
dc.contributor.authorPHILO, Mark
hal.structure.identifierInstitut des Sciences Moléculaires de Marseille [ISM2]
dc.contributor.authorALEXANDRE GOUAUBAU, Marie-Cécile
hal.structure.identifierNutrition, obésité et risque thrombotique [NORT]
dc.contributor.authorAMIOT-CARLIN, Marie Josephe
hal.structure.identifierInstitute for Health and Consumer Protection
dc.contributor.authorBOSSIS, Mathilde
hal.structure.identifierChimie, Structures et Propriétés de Biomatériaux et d'Agents Thérapeutiques [CSPBAT]
dc.contributor.authorTRIBA, Mohamed
hal.structure.identifierLaboratoire des Courses Hippiques [LCH]
dc.contributor.authorSTOJILKOVIC, Nathali
hal.structure.identifierAssistance Publique - Hôpitaux de Marseille [APHM]
dc.contributor.authorBANZET, Nathalie
hal.structure.identifierBiologie des Plantes et Innovation - UR UPJV 3900 [BIOPI]
dc.contributor.authorMOLINIÉ, Roland
hal.structure.identifierNutrition, obésité et risque thrombotique [NORT]
dc.contributor.authorBOTT, Romain
hal.structure.identifierStation biologique de Roscoff [Roscoff] [SBR]
dc.contributor.authorGOULITQUER, Sophie
hal.structure.identifierInstitut des Sciences Moléculaires de Marseille [ISM2]
dc.contributor.authorCALDARELLI, Stefano
hal.structure.identifierIngénierie, Procédés, Aliments [GENIAL]
dc.contributor.authorRUTLEDGE, Douglas
dc.date.issued2015
dc.identifier.issn1573-3882
dc.description.abstractEnThe 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.
dc.language.isoen
dc.publisherSpringer Verlag
dc.rights.urihttp://creativecommons.org/licenses/by/
dc.subject.enNuclear magnetic resonance
dc.subject.enMass spectrometry
dc.subject.enMetabolic fingerprinting
dc.subject.enInter-laboratory
dc.subject.enUntargeted metabolomics
dc.title.enCan we Trust Untargeted Metabolomics: Results of the Metabo-ring Initiative, a Large-scale Multi-instruments Inter-laboratoire Study
dc.typeArticle de revue
dc.identifier.doi10.1007/s11306-014-0740-0
dc.subject.halSciences du Vivant [q-bio]/Alimentation et Nutrition
bordeaux.journalMetabolomics
bordeaux.page807-821
bordeaux.volume11
bordeaux.issue4
bordeaux.peerReviewedoui
hal.identifierhal-01123343
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01123343v1
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