Novel metabolomics methods using the NMR (nuclear magnetic resonance) spectrometer at Thompson Rivers University were developed. This will lead to better utilization of the NMR by opening up new applications of this powerful instrument. The method was applied to three different samples: a simple four compound mixture, a previously analyzed Escherichia coli lysate, and an extract of Grindelia squarrosa, which has not heretofore been analyzed using a metabolomics approach. The fractionated crudes extracts returned 597 compounds from the Biological Magnetic Databank, using HSQC peak chemical shifts. Results for the four-compound mixture were visualized as raw two-dimensional spectra, showing resolution of the peaks. The E. coli lysate provided invaluable insight into the necessity of high sensitivity as well as resolution in metabolomics. The future directions of this project are discussed, outlining the power of this technique for different mixtures and refining the experimental setup to reduce the necessity of relying on the currently available databases.
