1H NMR: peak indentifcation 1.79 ppm in bacteria infected urine?

01 April 2022 1 2K Report

Hi,

I did some 1H NMR measurements to analyse bacteria-infected urine (yellow graph). I have a clear peak at 1.93 ppm (according to literature: acetic acid). However, I cannot identify the peak at 1.79 ppm, which is not existing in not infected urine (blue graph).

Thanks a lot!

Luc Alders

I would recommend to record a set of 2D NMR spectra (HSQC, HMBC, COSY) and a 13C spectrum to identify your signal. As Clemens suggested, it may be an acetate ester. The 2D spectra and COSY would help you to identify what the acetate is esterified with. Or, it could exclude that it is an ester and give clues about alternative substitution patterns.

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