Based on statistical correlation analysis, NMR and LC-MS signals of individual metabolites in the mixtures can be extracted as if their spectra are acquired on the purified metabolite, which notably facilitates structure identification.
LC-ESI-QTOF-MS analysis utilizing gas-phase fragmentation reactions subjected to ESI-IS-CID and ESI-CID-MS/MS conditions to study the degradation behaviour of sorafenib tosylate: NMR and in vitro cytotoxicity and apoptosis detection studies of hydrolytic degradation products.
The aim of this study was to investigate metabolic profiles, especially lipids in cerebrospinal fluid (CSF) using <sup>1</sup>H-NMR spectroscopy and metabolomics analysis to discriminate MS patient group from the control ones.
Untargeted NMR metabolomics was performed on plasma from 28 RRMS patients and 18 unaffected controls to test the hypothesis that metabolomic markers are altered in RRMS patients in association with lesion load, brain atrophy and cognitive performance.