From: Identification of metabolites from 2D 1H-13C HSQC NMR using peak correlation plots
Metabolite | Selected peak ( 1H/ 13C) [ppm] | Cutoff | Number of correlating peaks (found/expected) |
---|---|---|---|
Trigonelline | 9.12 / 148.4 | 0.9 | 5 / 5 |
Hippuric acid | 7.82 / 129.6 | 0.9 | 4 / 4 |
Indoxyl sulphate | 7.69 / 119.9 | 0.8 | 4 / 5 |
Phenylacetylglutamine* | 7.41 / 131.5 | 0.8 | 8 / 8 |
trans-Aconitic acid | 6.58 / 133.5 | 0.74 | 3 / 2 |
Levoglucosan | 5.45 / 104.0 | 0.883 | 9 / 7 |
Carnitine** | 4.56 / 66.8 | 0.7 | 4 / 4 |
Creatine | 3.92 / 56.5 | 0.9 | 2 / 2 |
Mannitol | 3.80 / 72.0 | 0.9 | 4 / 4 |
Erythritol | 3.69 / 74.9 | 0.867 | 3 / 3 |
Galactitol | 3.66 / 72.6 | 0.65 | 3 / 3 |
Glycine | 3.56 / 44.2 | 0.8 | 1 / 1 |
Taurine | 3.44 / 38.0 | 0.9 | 2 / 2 |
4-Hydroxyphenylacetic acid | 3.44 / 46.1 | 0.9 | 3 / 3 |
Methanol | 3.36 / 51.6 | 0.8 | 1 / 1 |
1-Methyluric acid | 3.28 / 30.3 | 0.8 | 1 / 1 |
Betaine | 3.26 / 55.8 | 0.8 | 2 / 2 |
TMAO | 3.26 / 62.0 | 0.8 | 1 / 1 |
Ethanolamine | 3.14 / 44.2 | 0.85 | 2 / 2 |
Isocitric acid | 2.98 / 51.6 | 0.8476 | 5 / 4 |
Dimethylamine | 2.72 / 37.4 | 0.8 | 1 / 1 |
Citric acid | 2.54 / 48.1 | 0.899 | 2 / 2 |
Succinic acid | 2.40 / 36.7 | 0.8 | 1 / 1 |
Glutamine | 2.14 / 29.0 | 0.8 | 3 / 3 |
Acetic acid | 1.92 / 26.1 | 0.8 | 1 / 1 |
Spermine | 1.81 / 25.4 | 0.9 | 5 / 5 |
Lysine | 1.70 / 29.0 | 0.7 | 5 / 6 |
Adipic acid | 1.54 / 28.3 | 0.83 | 2 / 2 |
3-Hydroxyisovaleric acid | 1.26 / 30.6 | 0.8 | 2 / 2 |
3-Aminoisobutanoic acid | 1.20 / 17.6 | 0.8 | 4 / 4 |