GCMS correction

The analysis of distribution of artificially labelled 13C isotopomers is generally accepted as a powerful method for the evaluation of metabolic fluxes in cells under various conditions in vivo. The primary step in such an analysis should be not only a separation between natural and artificial labelling of metabolites that both contribute to the measured mass spectrometry data, but also correction for “impurities” of the assay media that give peaks overlapping with the desired pattern. Whereas the former became a routine procedure, the latter still remains a problem.
To perform such a separation of natural distribution and correction of overlapping peaks, we developed a “R” program. This program offers two ways of corrections of “impurities” resulted from overlapping of the assayed mass isotopomer distribution with peaks produced either by unknown metabolites in the media, or by different fragments containing the assayed metabolite.