NMR for metaboanalyst pulsing consideration


I had a quick question about the NMR aspect of the metaboanalyst software. Does this software consider the impact of a user not pulsing on the 90 degree pulse (doing a command on the nmr of “getprosol” rather than calibrating to the 90 degree pulse.) It seems the nmr data input only accounts for changes in ppms. Also I am unclear of whether I need to phase my nmr spectra prior to uploading the data here. Or does metaboanalyst presume I did not phase the spectra?


Rita from the Dayie Lab

Yes, you need to phase the spectra and perform spectral binning. MetaboAnalyst currently only supports raw data processing for LC-MS and MS/MS. All other input must be first processed into a table before uploading to MetaboAnalyst for statistical analysis.