| NO. |
Metabolites |
δ 1H (multiplicity a) |
NO. |
Metabolites |
δ1H (multiplicity a) |
| 1 |
Butyrate |
0.90(t), 2.16(t), 1.56(m) |
24 |
Citrate |
2.54(d), 2.67(d) |
| 2 |
Isoleucine |
0.96(t), 1.01(d), 1.27(m), 3.65(d) |
25 |
Methylamine |
2.61(s) |
| 3 |
Leucine |
0.97(t), 1.69(m), 3.72(t) |
26 |
Aspartate |
2.66(dd), 2.80(dd), 3.91(dd) |
| 4 |
Valine |
0.99(d), 1.04(d), 2.27(m), 3.62(d) |
27 |
Asparagine |
2.87(m), 3.03(m), 4.00(m) |
| 5 |
Propionate |
1.06(t), 2.17(q) |
28 |
Creatinine |
3.04(s), 3.96(s), 4.05(s) |
| 6 |
Ethanol |
1.18(t), 3.66(q) |
29 |
Phenylalanine |
3.17(dd), 3.33(m), 3.51(s), 3.99(dd), 7.33(t), 7.38(m), 7.43(t) |
| 7 |
Lactate |
1.32(d), 4.13(q) |
30 |
Choline |
3.21(s) |
| 8 |
Threonine |
1.34(d), 3.59(d), 4.26(m) |
31 |
Carnitine |
3.23(s) |
| 9 |
Lysine |
1.47(m), 1.72(m), 1.89(m), 3.01(t), 3.76(t) |
32 |
Taurine |
3.25(t), 3.41(t) |
| 10 |
Alanine |
1.48(d), 3.81(q) |
33 |
Glucose |
3.25(t), 3.42(dd), 3.47(dd), 3.54(dd), 3.75(m), 3.84(m), 3.91(dd), 4.65(d), 5.24(d) |
| 11 |
Citrullinine |
1.56(m) |
34 |
TMAO c
|
3.26(s) |
| 12 |
Arginine |
1.72(m), 1.90(m), 3.25(m), 3.76(m) |
35 |
Betaine |
3.26(s), 3.90(s) |
| 13 |
Acetate |
1.92(s) |
36 |
Scyllo-Inositol |
3.37(s) |
| 14 |
Proline |
2.05(m), 2.36(m), 3.35(t), 3.42(t), 4.12(m) |
37 |
α-xylose |
3.55(dd), 3.67(m), 5.21(t) |
| 15 |
N-acetyl-GT b
|
2.06(s) |
38 |
Glycine |
3.55(s) |
| 16 |
Methionine |
2.14(s), 2.17(m), 2.64(t), 3.77(m) |
39 |
Mannitol |
3.77(dd) |
| 17 |
Glutamine |
2.15(m), 2.46(m), 3.77(m) |
40 |
Glycolate |
3.93(s) |
| 18 |
Acetone |
2.21(s) |
41 |
Allantoin |
5.39(s) |
| 19 |
Acetoacetate |
2.30(s) |
42 |
Uracil |
5.81(d), 7.54(d) |
| 20 |
Pyruvate |
2.35(s) |
43 |
Fumarate |
6.53(s) |
| 21 |
Glutamate |
2.36(m), 2.06(m), 3.78(m) |
44 |
Tyrosine |
6.90(d), 7.2(d) |
| 22 |
Succinate |
2.39(s) |
45 |
Hypoxanthine |
8.2(s), 8.22(s) |
| 23 |
2-oxoglutarate |
2.45(t), 3.02(t) |
46 |
Formate |
8.46(s) |
|
a: s, singlet; t, triple; q, quartet; m, multiple b: N-acetyl-glycoprotein c: Trimethylamine-N-oxide. |
