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Siskos, A.P.* ; Jain, P.* ; Römisch-Margl, W. ; Bennett, M.J.* ; Achaintre, D.* ; Asad, Y.* ; Marney, L.* ; Richardson, L.* ; Koulman, A.* ; Griffin, J.L.* ; Raynaud, F.* ; Scalbert, A.* ; Adamski, J. ; Prehn, C. ; Keun, H.C.*

Interlaboratory reproducibility of a targeted metabolomics platform for analysis of human serum and plasma.

Anal. Chem. 89, 656-665 (2017)
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Open Access Green as soon as Postprint is submitted to ZB.
A 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.
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Publication type Article: Journal article
Document type Scientific Article
Keywords Standard Reference Material; Nmr; Cohort; Metabolism; Biomarkers; Cancers
Language english
Publication Year 2017
Prepublished in Year 2016
HGF-reported in Year 2016
ISSN (print) / ISBN 0003-2700
e-ISSN 1520-6882
Quellenangaben Volume: 89, Issue: 1, Pages: 656-665 Article Number: , Supplement: ,
Publisher American Chemical Society (ACS)
Publishing Place Washington
Reviewing status Peer reviewed
Institute(s) Institute of Bioinformatics and Systems Biology (IBIS)
Molekulare Endokrinologie und Metabolismus (MEM)
POF-Topic(s) 30505 - New Technologies for Biomedical Discoveries
30201 - Metabolic Health
Research field(s) Enabling and Novel Technologies
Genetics and Epidemiology
PSP Element(s) G-503700-001
G-505600-003
Erfassungsdatum 2016-12-23