1H NMR spectral identification of medication in cerebrospinal fluid of pediatric meningitis

Exploratory metabolomics studies of cerebrospinal fluid (CSF), using proton nuclear magnetic resonance (1H NMR) spectroscopy, hold major potential application in neurodiagnostics. Such studies, however, rely upon established databases of known metabolites. Here we address the 'unknowns' in the 1H NMR spectra of CSF from treated pediatric meningitis cases. Through knowledge of the clinical information given by the pediatrician and analytical application of 1H NMR spectroscopy on pure reference compounds of the medication used, we identified four of the previously unknown compounds in the 1H NMR CSF spectra - the drugs pyrazinamide, isoniazid, acyclovir, and sulfamethoxazole. We report on the one- and two-dimensional 1H NMR spectral data and chemical information of these four compounds. By expanding our knowledge of 1H NMR CSF spectra from treated meningitis cases, we are able to bring 1H NMR closer to the forefront of neurodiagnostics.