Dataset of urinary metabolites measured by 1 H NMR analysis of normal human urine

Abstract

The data in this article are related to the research entitled, “Assessment of 1H 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 by 1H 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.

Urine metabolite profiling of Indian Antarctic Expedition members: NMR spectroscopy-based metabolomic investigation

“…The peak areas were integrated relative to reference signals from TSP for quantification. The identified metabolites were compared to the metabolites reported in literature [ Cassiède et al., 2017 ]. Resonances from various metabolites like amino acids such as leucine, isoleucine, valine, alanine, glutamate, glutamine, glycine, histidine, tryptophan; sugars like myo-inositol, organic acids such as lactate, acetate, and other metabolites like choline, glycerophosphocholine, dimethyamine, creatinine, indoxyl sulfate, hippuarte, allantoin were identified ( Figure 1 ).…”