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NMR Chemical Shift Ranges of Urine Metabolites in Various Organic Solvents

Görling, Benjamin; Bräse, Stefan; Luy, Burkhard

Abstract (englisch):
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.


Zugehörige Institution(en) am KIT Institut für Biologische Grenzflächen (IBG)
Institut für Organische Chemie (IOC)
Institut für Toxikologie und Genetik (ITG)
Publikationstyp Zeitschriftenaufsatz
Jahr 2016
Sprache Englisch
Identifikator DOI: 10.3390/metabo6030027
ISSN: 2218-1989
URN: urn:nbn:de:swb:90-594313
KITopen ID: 1000059431
HGF-Programm 47.02.04; LK 01
Erschienen in Metabolites
Band 6
Heft 3
Seiten 27
Bemerkung zur Veröffentlichung Gefördert durch den KIT-Publikationsfonds
Schlagworte NMR spectroscopy; urine; solvents; methanol; DMSO
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