title: Dataset of urinary metabolites measured by1H NMR analysis of normal human urine.
abstract: The data in this article are related to the research entitled, "Assessment of1H NMR-based metabolomics analysis for normalization of urinary metals against creatinine" (M. Cassiède, S. Nair, M. Dueck, J. Mino, R. McKay, P. Mercier, B. Quémerais, P. Lacy, 2016) [1]. This article describes the analysis of urinary metabolites in normal, healthy individuals by1H NMR-based metabolomics. NMR spectra of urine samples typically contain hundreds of peaks that must be carefully screened for reproducibility and detectability. An important requirement in the screening of appropriate urinary metabolites is to ensure that they are reproducibly detected. In our study, we applied the peak profiles of 151 known urinary metabolites to 10 normal human urine samples and found that 50 metabolites were reproducibly measured between 600 and 700 MHz magnets in the same samples. The data set has been made publicly available to enable critical or extended analysis.
authors.affiliation: Pulmonary Research Group, Department of Medicine, University of Alberta, Edmonton, AB, Canada; Department of Chemistry, University of Alberta, Edmonton, AB, Canada; National High Field NMR Centre (NANUC), University of Alberta, Edmonton, AB, Canada.
authors.forename: Marc
authors.initials: M
authors.lastname: Cassiède
authors.affiliation: Pulmonary Research Group, Department of Medicine, University of Alberta, Edmonton, AB, Canada; Department of Chemistry, University of Alberta, Edmonton, AB, Canada; National High Field NMR Centre (NANUC), University of Alberta, Edmonton, AB, Canada.
authors.forename: Sindhu
authors.initials: S
authors.lastname: Nair
authors.affiliation: Pulmonary Research Group, Department of Medicine, University of Alberta, Edmonton, AB, Canada; Department of Chemistry, University of Alberta, Edmonton, AB, Canada; National High Field NMR Centre (NANUC), University of Alberta, Edmonton, AB, Canada.
authors.forename: Meghan
authors.initials: M
authors.lastname: Dueck
authors.affiliation: Pulmonary Research Group, Department of Medicine, University of Alberta, Edmonton, AB, Canada; Department of Chemistry, University of Alberta, Edmonton, AB, Canada; National High Field NMR Centre (NANUC), University of Alberta, Edmonton, AB, Canada.
authors.forename: James
authors.initials: J
authors.lastname: Mino
authors.affiliation: Pulmonary Research Group, Department of Medicine, University of Alberta, Edmonton, AB, Canada; Department of Chemistry, University of Alberta, Edmonton, AB, Canada; National High Field NMR Centre (NANUC), University of Alberta, Edmonton, AB, Canada.
authors.forename: Ryan
authors.initials: R
authors.lastname: McKay
authors.affiliation: Pulmonary Research Group, Department of Medicine, University of Alberta, Edmonton, AB, Canada; Department of Chemistry, University of Alberta, Edmonton, AB, Canada; National High Field NMR Centre (NANUC), University of Alberta, Edmonton, AB, Canada.
authors.forename: Pascal
authors.initials: P
authors.lastname: Mercier
authors.affiliation: Pulmonary Research Group, Department of Medicine, University of Alberta, Edmonton, AB, Canada; Department of Chemistry, University of Alberta, Edmonton, AB, Canada; National High Field NMR Centre (NANUC), University of Alberta, Edmonton, AB, Canada.
authors.forename: Bernadette
authors.initials: B
authors.lastname: Quémerais
authors.affiliation: Pulmonary Research Group, Department of Medicine, University of Alberta, Edmonton, AB, Canada; Department of Chemistry, University of Alberta, Edmonton, AB, Canada; National High Field NMR Centre (NANUC), University of Alberta, Edmonton, AB, Canada.
authors.forename: Paige
authors.initials: P
authors.lastname: Lacy
keywords: Metabolomics; Nuclear magnetic resonance; Validation