Metabonomic 1H-NMR data

The data originates from 1H NMR analysts of urine from thirty-two rats, fed a diet containing an onion by-product. The aim is to evaluate the in vivo metabolome following intake of onion by-products. The rats are divided into four classes (H1-H4) which corresponds to the onion amount in the feed.

The data set contains:
X: 31 x 29001 (NMR spectra in the region between 9.6 and 0.3 ppm)
Y: 31 x 17 (some reference chemical values)
Samples_name: 31 x 1 (Rat number including class)
ppm: 1 x 29001 (ppm scale from 9.6 to 0.3 ppm)
onion: 1x 31 (% onion in the rat diet)
 

Get the data, filename onion_NMR

 

Please make reference to the data by this publication:

H. Winning, E. Roldán‐Marín, L.O. Dragsted, N. Viereck, M. Poulsen, C. Sánchez‐Moreno, M.P. Cano, S.B. Engelsen, An exploratory NMR nutri-metabonomic investigation reveals dimethyl sulfone as a dietary biomarker for onion intake, Analyst 2009, 134 (11) 2344-2351