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Metabolites 2016, 6(3), 27; doi:10.3390/metabo6030027

NMR Chemical Shift Ranges of Urine Metabolites in Various Organic Solvents

Institute of Organic Chemistry, Karlsruhe Institute of Technology, Fritz-Haber-Weg 6, Karlsruhe 76131, Germany
Institute for Biological Interfaces 4—Magnetic Resonance, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, Eggenstein-Leopoldshafen 76344, Germany
Institute for Toxicology and Genetics, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, Eggenstein-Leopoldshafen 76344, Germany
Author to whom correspondence should be addressed.
Academic Editors: Jun Kikuchi and Peter Meikle
Received: 10 June 2016 / Revised: 28 July 2016 / Accepted: 27 August 2016 / Published: 2 September 2016
(This article belongs to the Special Issue Challenging Biochemical Complexities by NMR)
View Full-Text   |   Download PDF [1606 KB, uploaded 2 September 2016]   |  


Signal stability is essential for reliable multivariate data analysis. Urine samples show strong variance in signal positions due to inter patient differences. Here we study the exchange of the solvent of a defined urine matrix and how it affects signal and integral stability of the urinary metabolites by NMR spectroscopy. The exchange solvents were methanol, acetonitrile, dimethyl sulfoxide, chloroform, acetone, dichloromethane, and dimethyl formamide. Some of these solvents showed promising results with a single batch of urine. To evaluate further differences between urine samples, various acid, base, and salt solutions were added in a defined way mimicking to some extent inter human differences. Corresponding chemical shift changes were monitored. View Full-Text
Keywords: NMR spectroscopy; urine; solvents; methanol; DMSO NMR spectroscopy; urine; solvents; methanol; DMSO

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Görling, B.; Bräse, S.; Luy, B. NMR Chemical Shift Ranges of Urine Metabolites in Various Organic Solvents. Metabolites 2016, 6, 27.

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