Abstract
The GC-MS of a horse urine extract obtained 40 h after doping with quinine is analysed. An unresolved cluster of peaks is studied. Several problems occur specifically with GC-MS data, which are solved using chemometrics methods. The use of windows to select masses, with the diagnostic masses changing according to window size and position, is discussed and used in calculations of derivatives to determine the composition of the chromatogram. PCA loadings and scores plots are obtained. The use of deconvolution to obtain clean spectra of the metabolites together with pseudo-simulations for determination of underlying peak-shapes is described.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
