Table 2.
Assignments of observed 1H-NMR peaks in blood serum of a patient suffering from IBS.
| Key | Metabolite | δ 1H (multiplicity) | Moieties |
|---|---|---|---|
| 1 | Histidine | 7.74 (s), 7.03 (s) | CH, CH |
| 2 | Tyrosine | 7.17 (m), 6.87 (m) | CH, CH |
| 3 | Urea | 5.76 (s) | NH2 |
| 4 | Unsaturated lipids in serum | 5.28 (m) | -CH=CH- |
| 5 | α-Glucose | 5.22 (d), 3.82 (m), 3.71 (t), 3.52 (d) | C-H1, C-H6, C-H3, C-H2 |
| 6 | β-Glucose | 4.63 (d), 3.89 (d), 3.47 (d), 3.40 (t), 3.23 (d) | C-H1, C-H6, C-H5, C-H4, C-H2 |
| 7 | Lactate | 4.10 (q), 1.32 (d) | αCH, βCH3 |
| 8 | Creatine | 3.92 (s), 3.04 (s) | CH2, NCH3 |
| 9 | Glycerol | 3.88 (m), 3.65 (d) | CH, CH2 |
| 10 | Leucine | 3.70 (m), 0.96 (d) | αCH, γCH3 |
| 11 | Valine | 3.60 (d), 1.03 (d), 0.97 (d) | αCH, γCH3, δCH3 |
| 12 | Proline | 3.44 (t) | δCH2 |
| 13 | Choline | 3.21 (s) | N(CH3)3 |
| 14 | Lipid | 2.73 (m), 1.56 (m), 1.25 (m), 0.84 (m) | C=CCH2C=C, CH2CH2CO, (CH2)n, CH3(CH2)n |
| 15 | Glutamine | 2.43 (m) | γCH2 |
| 16 | 3-hydroxybutyrate | 2.34 (m), 1.20 (d) | αCH2, βCH3 |
| 17 | Acetoacetate | 2.21 (s) | CH3 |
| 18 | Glutamate | 2.10 (m) | βCH2 |
| 19 | N-acetyl glycoproteins | 2.03 (s) | CH3 |
| 20 | Lysine | 1.88 (m), 1.72 (m) | βCH2, δCH2 |
| 21 | Alanine | 1.46 (d) | βCH3 |
| 22 | Isoleucine | 0.99 (t) | βCH3 |