Table 3.
Assignment table of the identified metabolites present in the 1H–NMR spectra of colostrum
| Assigned number | 1H chemical shift, ppma | Compound |
|---|---|---|
| 1 | 1.332 (d) | Lactate |
| 2 | 1.486 (d) | Alanine |
| 3 | 1.923 (s) | Acetate |
| 4 | 2.028 (s) | N-Acetylglutamate |
| 5 | 2.063 (s) | N-Acetylglucosamine |
| 6 | 2.089 (s) - 5.552(dd) - 5.967 (d) - 7.944 (d) - 8.287 (d) | UDP-N-Acetylglucosamine |
| 7 | 2.147 (s) -3.222 (s) | O-Acetylcholine |
| 8 | 2.408 (s) | Succinate |
| 9 | 2.539 (d) - 2.667 (d) | Citrate |
| 10 | 2.720 (s) | Dimethylamine |
| 11 | 3.039 (s) | Creatine |
| 12 | 3.046 (s) | Creatine phosphate |
| 13 | 3.050 (s) | Creatinine |
| 14 | 3.119 (d) - 5.712 (m) | cis-Aconitate |
| 15 | 3.204 (s) | Choline |
| 16 | 3.231(s) - 4.330 (m) | sn-Glycerophosphocholine |
| 17 | 3.272(t) - 3.532 (dd) - 4.073 (t) | Myo-Inositol |
| 18 | 3.259 (t) - 3.428 (t) | Taurine |
| 19 | 3.302 (t) -3.684:3.906 (m), 3.980 (d) 4.461 (d) - 4.679 (d) - 5.243 (d) | Lactose |
| 20 | 3.480 (s) - 4.142:4.278 (m) -5.607 (dd) -5.967 (m) -7.940 (d) | UDP-glucose |
| 21 | 3.935 (s) | Glycolate |
| 22 | 4.142:4.278 (m) - 4.379 (m) - 5.664 (dd)- 5.990 (m) - 7.942 - 7.995(d) | UDP-galactose |
| 23 | 5.917 (d) - 7.879 (d) | Uridine |
| 24 | 8.406 (s) | Formate |
| 25 | 4.423 (t) - 5.990 (m) - 8.102 (d) | UMP |
The assignments were obtained at pH 7.420. Chemical shift values are referenced to TMSP proton signals at 0.00 ppm. Glycerol (3.568, 3.661 and 3.793 ppm has not been listed as it has not been included in the PCA)
ad, doublet; dd, doublet of doublets; m, multiplet; s, singlet; t, triplet