Table 3.

Discriminant metabolites observed by 1H NMR spectroscopy, according to the loading plot (Fig. 2B), between cirrhotic serum spectra and large HCC serum spectra

NumberNameChemical shift (ppm) and multiplicityrP
1Methyl moieties of fatty acids (HDL)0.84m 1.23m−0.605.22 × 10−9
2Methylene moieties of fatty acids1.50m−0.564.09 × 10−6
3Acetate1.90s+0.572.56 × 10−8
4Methylene moieties of fatty acids (β of esters)1.99b−0.485.42 × 10−6
5N-acetyl moiety2.02m+0.525.68 × 10−7
6Glutamate2.33m+0.831.23 × 10−21
7Glutamine2.11m 2.43m−0.633.92 × 10−12
8Fatty acids double bounds5.33b−0.426.50 × 10−7

NOTE: The metabolite number corresponds to the label in the loading plot in Fig. 2B. Chemical shift (referenced to fumaric acid signal at 6.53 ppm) and multiplicity correspond to those found in the 1H NMR spectra of the patient's serum at 298 K. s, singlet; d, doublet; dd, doublet of doublet; t, triplet; m, multiplet; b, broadsignal. A negative correlation (r) corresponds of an increased metabolite concentration in the cirrhotic group and a positive correlation to an increased metabolite concentration in the HCC group.