ALGORITHM FOR PROCESSING COMPLEX MIXTURE DATA FROM HYPHENATED ULTRAHIGH RESOLUTION MASS SPECTROMETRY

摘要

The coupling of gas chromatography (GC) to a Fourier transform ion cyclotron mass spectrometer (FTICRMS) affords additional information about complex mixtures. Co-eluted components can be resolved due to the ultrahigh resolving power, also allowing extracted ion chromatograms (EICs)to be used for the observation of isomers. There is a current need for data analysis tools for processing these datasets, aiding data analysis, and extraction of key information.