TABLE 1.
NO. | Metabolites | δ 1H (ppm) and multiplicity | Moieties |
---|---|---|---|
1 | Leucine | 0.96(d), 0.97(d), 1.69(m), 1.70(m), 1.73(m), 3.73(m) | α-CH3, α-CH3, γ-CH, β-CH2, α-CH |
2 | Isoleucine | 0.94(t), 1.01(d), 1.21(m), 1.42(m), 2.00(m), 3.67(d) | δ-CH3, γ-CH3, half γ-CH2, half γ-CH2, β-CH, α-CH |
3 | Valine | 0.99(d), 1.05(d), 2.26(m), 3.60(d) | γ-CH3, γ-CH3, β-CH, α-CH |
4 | Alanine | 1.47(d), 3.78(q) | β-CH3, α-CH |
5 | Lysine | 1.43(m), 1.50(m), 1.73(m), 1.89(m), 1.92(m), 3.02(t), 3.75(t) | γ-CH2, half γ-CH2, δ-CH2, β-CH2, ε-CH2, α-CH |
6 | Acetate | 1.91(s) | CH3 |
7 | Glutamate | 2.08(m), 2.12(m), 2.34(m), 2.37(m), 3.75(m) | half β-CH2, half β-CH2, half γ-CH2, half γ-CH2, α-CH |
8 | Glutamine | 2.13(m), 2.45(m), 3.77(t) | γ-CH2, β-CH2, α-CH |
9 | Glutathione | 2.15(m), 2.55(m), 2.96(m), 3.77(m), 4.56(m) | β-CH2, γ-CH2, CH2-SH, α-CH&CH2-NH, CH-NH |
10 | Aspartate | 2.68(dd), 2.81(dd), 3.90(dd) | β-CH2, α-CH |
11 | β-Alanine | 2.54(t), 3.17(t) | CH2, CH2 |
12 | Choline | 3.20(s), 3.50 (dd), 4.03(t) | N-(CH3)3, N-CH2, CH2OH |
13 | PC | 3.22(s), 3.60(t), 4.18(m) | N-(CH3)3, N-CH2, CH2OH |
14 | GPC | 3.23(s), 3.60(dd), 3.68(dd), 3.87(m), 3.94(m), 4.33(m) | N-(CH3)3, half 1CH2, 2CH2, half 1CH2, half 3CH2, half 3CH2, 1CH2 |
15 | Glycine | 3.57(s) | α-CH2 |
16 | Creatine | 3.04(s), 3.93(s) | N-CH3, α-CH2 |
17 | Phosphocreatine | 3.05(s), 4.05(s) | N-CH3, CH2 |
18 | Myo-inositol | 3.28(t), 3.53 (dd), 3.63(t), 4.07(t) | 2CH,4,6CH,1,3CH, 5CH |
19 | Lactate | 1.33(d), 4.11(q) | β-CH3, α-CH |
20 | Taurine | 3.24(t), 3.41(t) | 1CH2, 2CH2 |
21 | Threonine | 1.31(d), 3.59(d), 4.25(m) | γ-CH2, β-CH |
22 | Glucose | β(3.24 (dd), 3.48(t), 3.90 (dd)), α(3.54 (dd), 3.71(t), 3.72 (dd), 3.83(m)) | β(H2, H3, H5), α(H2, H3, H6) |
23 | ADP | 6.13 (d), 8.27 (s), 8.58 (s) | NH2, δ-CH, 2CH |
24 | ATP | 6.14 (d), 8.27 (s), 8.58 (s) | NH2, δ-CH, 2CH |
25 | Histidine | 7.06(s), 7.85(s) | 5CH, 2CH |
26 | Tyrosine | 3.05(dd), 3.19(dd), 6.92(d), 7.19(d) | half β-CH2, half β-CH2, β-CH, α-CH |
27 | Phenylalanine | 3.12(dd), 3.30(dd), 3.99(dd), 7.33(d), 7.37(t),7.43(t) | α-CH, half β-CH2, half β-CH2, α-CH, β-CH, γ-CH |
28 | GTP | 5.92 (d), 8.1 (s) | CH, CH |
29 | Formate | 8.46(s) | CH |
30 | NAD+ | 6.03(d), 6.08(s), 8.16(s), 8.20(m), 8.41(s), 8.82(d), 9.13(d), 9.32(s) | NH2, NH2(CO), δ-CH, β-CH, 2CH, γ-CH, α-CH |
Multiplicity: s, singlet; d, double; t, triplet; q, quartet; m, multiple; dd, double of double.