Table 2.
Metabolites identified by NMR analysis in the 1H spectrum.
| Metabolite | 1H chemical shift (ppm) | Multiplicity (J [Hz]) | Concentration μg/mg ± SD |
|---|---|---|---|
| Leucine | 0.96 | d [6.2] | 3.37 ± 0.09 |
| Isoleucine | 1.01 | d [7.1] | 1.82 ± 0.02 |
| Valine | 1.05 | d [7.1] | 3.22 ± 0.01 |
| 2,3-Butanediole | 1.15 | d [6.4] | 1.51 ± 0.10 |
| Lactate | 1.33 | d [6.9] | 31.56 ± 1.12 |
| Alanine | 1.48 | d [7.2] | 4.64 ± 0.09 |
| Acetate | 1.92 | s | 7.43 ± 0.22 |
| GABA | 2.30 | t [6.1] | 2.42 ± 0.06 |
| Succinate | 2.41 | s | 3.74 ± 0.06 |
| Citrate | 2.55 | d [15.3] | 13.02 ± 0.12 |
| Aspartate | 2.82 | dd [17.4, 3.8] | 1.69 ± 0.01 |
| Glycerol | 3.66 | dd [11.7, 4.3] | 15.90 ± 0.56 |
| Mannitol | 3.87 | dd [11.9, 2.9] | 4.76 ± 0.04 |
| Pyroglutamate | 4.18 | dd [9.1, 5.9] | 7.16 ± 0.03 |
| Malate | 4.30 | dd [10.2, 2.9] | 3.53 ± 0.15 |
| Fumarate | 6.53 | s | 0.08 ± 0.01 |
| Tyrosine | 6.9 | d [8.4] | 1.26 ± 0.02 |
| Phenylalanine | 7.43 | m | 4.03 ± 0.05 |
| Formate | 8.46 | s | 0.46 ± 0.01 |