CcpNmr AnalysisMetabolomics V3 – 11 Molecule Assignment Tips

CcpNmr AnalysisMetabolomics V3 – 11 Molecule Assignment Tips


CcpNmr AnalysisMetabolomics module can
also be used to help assign spectra where there is no reference assignment
available. By using multiple spectra such as the heteronuclear HSQC carbon
hydrogen spectrum here and also a homonuclear HH TOCSY here we can use
CcpNmr Analysis to correlate between the peaks. Peaks that we’ve selected
previously in our HSQC can be marked. I might remove the grid lines to
make this easier. Selecting a peak and then right-clicking allows you to ‘Mark
in:’ in this fashion we can make mark positions that are shared between
spectra, so that we can see that Glc11 correlates very well to this TOCSY strip. And Glc9 correlates very well to this TOCSY strip. We can clear mark positions
and we also create marked positions for other
peaks which enable us to correlate the various spectra together.

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