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dc.contributor.authorSiskos, APen_US
dc.contributor.authorJain, Pen_US
dc.contributor.authorRömisch-Margl, Wen_US
dc.contributor.authorBennett, Men_US
dc.contributor.authorAchaintre, Den_US
dc.contributor.authorAsad, Yen_US
dc.contributor.authorMarney, Len_US
dc.contributor.authorRichardson, Len_US
dc.contributor.authorKoulman, Aen_US
dc.contributor.authorGriffin, JLen_US
dc.contributor.authorRaynaud, Fen_US
dc.contributor.authorScalbert, Aen_US
dc.contributor.authorAdamski, Jen_US
dc.contributor.authorPrehn, Cen_US
dc.contributor.authorKeun, HCen_US
dc.coverage.spatialUnited Statesen_US
dc.date.accessioned2019-05-14T13:46:45Z
dc.date.issued2017-01-03en_US
dc.identifierhttps://www.ncbi.nlm.nih.gov/pubmed/27959516en_US
dc.identifier.citationAnal Chem, 2017, 89 (1), pp. 656 - 665en_US
dc.identifier.urihttps://repository.icr.ac.uk/handle/internal/3229
dc.identifier.eissn1520-6882en_US
dc.identifier.doi10.1021/acs.analchem.6b02930en_US
dc.description.abstractA critical question facing the field of metabolomics is whether data obtained from different centers can be effectively compared and combined. An important aspect of this is the interlaboratory precision (reproducibility) of the analytical protocols used. We analyzed human samples in six laboratories using different instrumentation but a common protocol (the AbsoluteIDQ p180 kit) for the measurement of 189 metabolites via liquid chromatography (LC) or flow injection analysis (FIA) coupled to tandem mass spectrometry (MS/MS). In spiked quality control (QC) samples 82% of metabolite measurements had an interlaboratory precision of <20%, while 83% of averaged individual laboratory measurements were accurate to within 20%. For 20 typical biological samples (serum and plasma from healthy individuals) the median interlaboratory coefficient of variation (CV) was 7.6%, with 85% of metabolites exhibiting a median interlaboratory CV of <20%. Precision was largely independent of the type of sample (serum or plasma) or the anticoagulant used but was reduced in a sample from a patient with dyslipidaemia. The median interlaboratory accuracy and precision of the assay for standard reference plasma (NIST SRM 1950) were 107% and 6.7%, respectively. Likely sources of irreproducibility were the near limit of detection (LOD) typical abundance of some metabolites and the degree of manual review and optimization of peak integration in the LC-MS/MS data after acquisition. Normalization to a reference material was crucial for the semi-quantitative FIA measurements. This is the first interlaboratory assessment of a widely used, targeted metabolomics assay illustrating the reproducibility of the protocol and how data generated on different instruments could be directly integrated in large-scale epidemiological studies.en_US
dc.format.extent656 - 665en_US
dc.languageengen_US
dc.language.isoengen_US
dc.rights.urihttp://www.rioxx.net/licenses/all-rights-reserveden_US
dc.subjectHumansen_US
dc.subjectLaboratoriesen_US
dc.subjectLimit of Detectionen_US
dc.subjectMetabolomicsen_US
dc.subjectQuality Controlen_US
dc.subjectReference Standardsen_US
dc.subjectReproducibility of Resultsen_US
dc.subjectTandem Mass Spectrometryen_US
dc.titleInterlaboratory Reproducibility of a Targeted Metabolomics Platform for Analysis of Human Serum and Plasma.en_US
dc.typeJournal Article
rioxxterms.versionofrecord10.1021/acs.analchem.6b02930en_US
rioxxterms.licenseref.startdate2017-01-03en_US
rioxxterms.typeJournal Article/Reviewen_US
dc.relation.isPartOfAnal Chemen_US
pubs.issue1en_US
pubs.notesNot knownen_US
pubs.organisational-group/ICR
pubs.organisational-group/ICR/Primary Group
pubs.organisational-group/ICR/Primary Group/ICR Divisions
pubs.organisational-group/ICR/Primary Group/ICR Divisions/Cancer Therapeutics
pubs.organisational-group/ICR/Primary Group/ICR Divisions/Cancer Therapeutics/Clinical Pharmacology & Trials (including Drug Metabolism & Pharmacokinetics Group)
pubs.publication-statusPublisheden_US
pubs.volume89en_US
pubs.embargo.termsNot knownen_US
icr.researchteamClinical Pharmacology & Trials (including Drug Metabolism & Pharmacokinetics Group)en_US
dc.contributor.icrauthorRaynaud, Florenceen_US


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