Table A2.
Five-month-old fecal fermentation.
| Metabolite | 1H Chemical Shift | 13C Chemical Shift | Confirmed TOCSY Cross-Peaks |
|---|---|---|---|
| 5,6-dihydrouracil | 2.67 | 32.27 | 2.67/3.44 |
| 3.44 | 38.32 | ||
| Acetate | 1.91 | 26.0 | - |
| Alanine | 3.77 | 53.4 | - |
| 1.47 | 19.0 | ||
| Arginine | 3.75 | 57.5 | 1.71/1.89 |
| 3.22 | 43.6 | 1.86/3.75 | |
| 1.87 | 30.6 | 1.71/3.23 | |
| 1.68 | 26.5 | 1.71/3.73 | |
| Aspartate | 3.89 | 55.1 | 3.90/2.81 |
| 2.81 | 39.3 | 3.90/2.67 | |
| 2.67 | 39.4 | 2.80/3.89 | |
| 2.81/2.66 | |||
| 2.66/3.89 | |||
| 2.67/2.80 | |||
| Betaine | 3.88 | 69.8 | 3.88/3.23 |
| 3.25 | 56.1 | ||
| Choline | 3.19 | 56.6 | 3.50/4.05 |
| 3.50 | 70.1 | ||
| 4.05 | 58.3 | ||
| Cytosine | 7.51 | 146.3 | 5.96/7.49 |
| - | - | 7.50/5.97 | |
| Ethanol | 1.17 | 19.6 | - |
| 3.64 | 60.3 | ||
| Formate | 8.45 | 173.8 | 8.45/8.45 |
| Fucose* | 5.11 | 97.7 | 3.92/3.65 |
| 3.92 | 73.5 | 3.44/3.88 | |
| 3.71 | 73.0 | ||
| 3.43 | 74.6 | ||
| 3.87 | 70.8 | ||
| 4.88 | 97.7 | ||
| 3.63 | 75.6 | ||
| - | - | ||
| - | - | ||
| Fumarate | 6.51 | 138.1 | - |
| Galactose | 5.26 | 95.1 | |
| 4.57 | 99.3 | ||
| 4.07 | 73.3 | ||
| 3.98 | 72.1 | ||
| 3.92 | 71.5 | ||
| 3.85 | 72.1 | - | |
| 3.80 | 71.0 | ||
| 3.75 | 63.8 | ||
| 3.70 | 77.9 | ||
| 3.63 | 75.6 | ||
| 3.48 | 74.8 | ||
| Glucose | 5.22 | 94.9 | |
| - | - | ||
| 3.90 | 63.4 | ||
| 3.82 | 63.3 | ||
| 3.81 | 74.1 | ||
| 3.72 | 63.5 | - | |
| 3.70 | 75.6 | ||
| 3.52 | 74.3 | ||
| 3.45 | 78.6 | ||
| 3.40 | 72.5 | ||
| 3.23 | 77.0 | ||
| Glutamate | 2.11 | 29.8 | 3.75/2.05 |
| 2.34 | 36.2 | 3.75/2.34 | |
| 3.75 | 57.5 | 2.12/2.34 | |
| Glutamine | 2.11 | 29.8 | 3.75/2.34 |
| 2.34 | 36.2 | 2.12/2.34 | |
| 3.75 | 57.5 | 2.06/3.75 | |
| Glycerol | 3.55 | 65.4 | |
| 3.65 | 65.4 | - | |
| 3.80 | 74.8 | ||
| Glycine | 3.55 | 44.4 | - |
| Histidine | 3.18 | 30.3 | 7.13/8.00 |
| 3.27 | 30.2 | 7.13/3.26 | |
| 3.28 | 29.3 | 7.13/3.18 | |
| 4.00 | 57.3 | 4.00/3.26 | |
| 7.14 | 120.0 | 4.00/3.18 | |
| 8.03 | 138.4 | ||
| Isoleucine | 0.93 | 13.8 | |
| 1.0 | 17.4 | ||
| 1.45 | 27.0 | - | |
| 1.96 | 38.7 | ||
| 3.65 | 62.5 | ||
| Lactate | 1.31 | 22.9 | - |
| 4.15 | 71.1 | ||
| Leucine | 0.94 | 23.7 | |
| 0.95 | 24.7 | ||
| 1.69 | 26.9 | - | |
| 1.72 | 42.6 | ||
| 3.73 | 56.4 | ||
| Lysine | 1.43 | 24.1 | |
| 1.49 | 24.2 | ||
| 1.7 | 29.1 | - | |
| 1.89 | 32.7 | ||
| 3.04 | 41.8 | ||
| 3.75 | 57.5 | ||
| Methanol | 3.35 | 51.8 | - |
| Methionine | 2.12 | 16.6 | |
| 2.18 | 32.6 | - | |
| 2.63 | 31.5 | ||
| 3.85 | 56.8 | ||
| Ornithine | 3.75 | 57.2 | 3.04/1.76 |
| 3.04 | 41.8 | 3.04/1.93 | |
| 1.93 | 30.2 | 3.04/3.75 | |
| - | - | 1.93/1.77 | |
| Phenylalanine | 3.12 | 39.2 | |
| 3.28 | 39.2 | ||
| 3.99 | 58.9 | - | |
| 7.32 | 132.1 | ||
| 7.37 | 130.5 | ||
| 7.42 | 131.9 | ||
| Proline | 1.99 | 26.5 | |
| 2.05 | 31.7 | - | |
| 2.33 | 31.7 | ||
| 3.33 | 49.0 | ||
| 3.41 | 49.0 | ||
| 4.12 | 64.0 | ||
| Propionate | 2.17 | 33.4 | - |
| 1.04 | 12.9 | ||
| Putrescine | 3.04 | 41.8 | 1.76/3.04 |
| 1.76 | 26.7 | ||
| Pyruvate | 2.36 | 29.1 | - |
| Serine | 3.97 | 63.0 | - |
| 3.83 | 59.3 | ||
| Succinate | 2.39 | 36.8 | - |
| Taurine | 3.25 | 50.4 | 3.41/3.25 |
| 3.42 | 38.3 | ||
| Tryptophan | 3.28 | 29.2 | |
| 3.49 | 29.1 | ||
| 4.05 | 58.3 | ||
| 7.19 | 122.0 | - | |
| 7.27 | 124.9 | ||
| 7.31 | 128.0 | ||
| 7.53 | 114.8 | ||
| 7.72 | 121.3 | ||
| Tyrosine | 3.04 | 38.3 | 3.17/3.95 7.17/6.89 |
| 3.19 | 38.3 | ||
| 3.93 | 59.0 | ||
| 6.89 | 118.7 | ||
| 7.20 | 133.1 | ||
| Uracil | 7.52 | 146.4 | 5.79/7.53 |
| - | - | 7.52/5.79 | |
| 5.79 | 103.8 | ||
| Valine | 0.98 | 19.4 | |
| 1.03 | 20.7 | - | |
| 2.26 | 31.9 | ||
| 3.60 | 63.3 | ||
| Xanthine | 7.74 | 140.1 | 7.72/7.72 |
| myo-Inositol | 3.27 | 77.2 | 4.05/3.51 |
| 3.53 | 73.9 | 4.05/3.26 | |
| 3.63 | 75.9 | 3.27/3.52 | |
| 4.05 | 75.1 | 3.63/3.28 | |
| 3.60/4.05 |