NMR spectra of oilseed rape (Brassica napus) root exudates

A Bruker Avance III 600 MHz spectrometer connected to Topspin version 3.5 was used to record the spectra. Included are 1D-1H-NOESY, (1H,1H)-TOCSY, (1H,13C)-HSQC, CPMG, and 1D-diffusion spectra of intact root exudates as well as 1D-1H spectra of a sample treated with ultrafiltration and solid phase extraction (SPE), respectively.

The dataset further includes spectra from a spike-in experiment where different concentrations of five metabolites were added to a pooled root exudate sample as well as a blank sample. All samples have been freeze-dried and dissolved in D2O. The data was used to develop an automated targeted metabolomics workflow called extended AQuA.