| Key |
Metabolites |
δ 1H (ppm) and multiplicitya |
| 1 |
Isoleucine |
0.94(t), 0.99(d), 1.25(m), 1.46(m), 1.97(m), 3.66(d) |
| 2 |
Leucine |
0.96(d), 0.97(d), 1.67(m), 1.70(m), 1.73(m), 3.73(m) |
| 3 |
Valine |
0.97(d), 1.02(d), 2.26(m), 3.60(d) |
| 4 |
Isobutyrate |
1.05(d), 2.38(m) |
| 5 |
Propylene glycol |
1.14(d), 3.43(dd), 3.54(dd), 3.87(m) |
| 6 |
Lactate |
1.33(d), 4.12(q) |
| 7 |
Alanine |
1.48(d), 3.78(q) |
| 8 |
Lysine |
1.42(m), 1.50(m), 1.70(m), 1.89(m), 1.93(m), 3.02(t), 3.75(t) |
| 9 |
Arginine |
1.63(m), 1.72(m), 1.87(m), 1.93(m), 3.24(t), 3.77(t) |
| 10 |
Acetate |
1.92(s) |
| 11 |
Homoserine |
2.05(m), 2.16(m), 3.77(m), 3.85(dd) |
| 12 |
Glutamate |
2.06(m), 2.12(m), 2.33(m), 2.37(m), 3.75(dd) |
| 13 |
Methionine |
2.12(m), 2.14(s), 2.19(m), 2.65(t), 3.85(dd) |
| 14 |
Glutamine |
2.13(m), 2.15(m), 2.43(m), 2.47(m), 3.78(t) |
| 15 |
Glutathione |
2.16(m), 2.18(m), 2.53(m), 2.58(m), 2.94(dd), 2.97(dd), 3.76(d), 3.78(m), 4.58(m) |
| 16 |
Malate |
2.36(dd), 2.68(dd), 4.30(m) |
| 17 |
Carnitine |
2.42(dd), 2.46(dd), 3.21(s), 3.40(m), 3.41(m), 4.56(m) |
| 18 |
Succinate |
2.41(s) |
| 19 |
Citrate |
2.53(d), 2.69(d) |
| 20 |
Aspartate |
2.68(dd), 2.82(dd), 3.89(dd) |
| 21 |
Creatine |
3.03(s), 3.94(s) |
| 22 |
Tyrosine |
3.04(dd), 3.19(dd), 3.93(dd), 6.90(m), 7.19(m) |
| 23 |
Choline |
3.20(s), 3.49(m), 4.06(m) |
| 24 |
Phosphoethanolamine |
3.22(m), 3.98(m) |
| 25 |
Phosphocholine |
3.22(s), 3.57(m), 4.17(m) |
| 26 |
GPCb |
3.23(s), 3.62(dd), 3.67(m), 3.68(dd), 3.86(m), 3.92(m), 3.95(m), 4.32(m) |
| 27 |
Glucose |
3.23(m), 3.4(m), 3.5(m), 3.53(dd), 3.7(dd), 3.72(dd), 3.78(m), 3.83(m), 3.84(m), 3.94(dd), 4.65(d), 5.23(d) |
| 28 |
Taurine |
3.26(t), 3.43(t) |
| 29 |
Betaine |
3.27(s), 3.89(s) |
| 30 |
Methanol |
3.36(s) |
| 31 |
myo-Inositol |
3.25(t), 3.53(dd), 3.62(t), 4.06(m) |
| 32 |
Glycine |
3.55(s) |
| 33 |
Ascorbate |
3.73(dd), 3.76(dd), 4.02(m), 4.52(d) |
| 34 |
Uridine |
3.8(dd), 3.89(dd), 4.13(m), 4.23(t), 4.36(t), 5.9(d), 5.92(d), 7.88(d) |
| 35 |
Inosine |
3.84(dd), 3.92(dd), 4.27(m), 4.44(m), 4.76(t), 6.11(d), 8.23(s), 8.35(s) |
| 36 |
Nicotinurate |
3.96(m), 7.59(dd), 8.25(m), 8.71(m), 8.94(d) |
| 37 |
AMP |
4.01(m), 4.04(m), 4.38(m), 4.52(dd), 4.79(dd), 6.15(d), 8.26(s), 8.63(s) |
| 38 |
ATP |
4.25(m), 4.29(m), 4.38(m), 4.58(dd), 4.75(dd), 6.16(d), 8.23(s), 8.6(s) |
| 39 |
ADP |
4.20(m), 4.24(m), 4.38(m), 4.58(dd), 4.76(dd), 6.16(d), 8.26(s), 8.54(s) |
| 40 |
Hypoxanthine |
8.16(s), 8.19(s) |
| 41 |
Formate |
8.45(s) |
|
