Table 1. Resonance assignments of 28 metabolites in 1H NMR spectra of aqueous extracts of brain tissues.
| Metabolite (abbreviation) | Groups | δ 1H(ppm) in PBS buffer (pH=7.4) #
|
|
|---|---|---|---|
| leucine(Leu) | α-CH, β-CH2, γ-CH, δ-CH3, δ-CH3 | 3.73(m), 1.73(m), 1.70(m),1.69(m), 0.97(d), 0.96(d) | |
| isoleucine(Ile) | α-CH,β-CH, γ-CH3, half γ-CH2, half γ-CH2, δ-CH3 | 3.67(d), 2.00(m), 1.01(d), 1.42 (m), 1.21(m), 0.94(t) | |
| valine(Val) | α-CH, β-CH, γ-CH3, γ-CH3 | 3.60(d), 2.26(m), 1.05(d), 0.99(d) | |
| isobutyrate(IB) | α-CH, 2×β-CH3 | 2.49(m), 1.06(d) | |
| lactate(Lac) | α-CH, β-CH3 | 4.13 (q), 1.34(d) | |
| analine(Ala) | α-CH, β-CH3 | 3.78(q), 1.49(d) | |
| lysine(Lys) | α-CH, β-CH2, half γ-CH2, half γ-CH2, δ-CH2, ε-CH2 | 3.75(t), 1.90(m), 1.452(m), 1.50(m), 1.72(m), 3.02(t) | |
| N-acetylaspartate(NAA) | α-CH2 | 2.10(s) | |
| glutamate (Glu) | α-CH, half β-CH2, half β-CH2, half γ-CH2, halfγ-CH2 | 3.78(t), 2.13(m), 2.06(m), 2.34(m), 2.37(m) | |
| γ-aminobutyric acid (GABA) | α-CH2, β-CH2, γ-CH2 | 2.28(t), 1.89(m), 3.00(t) | |
| succinate(Suc) | 2×CH2 | 2.41(s) | |
| glutamine(Gln) | α-CH, β-CH2, γ-CH2 | 3.78(t), 2.44(m), 2.14(m) | |
| malate(Mal) | α-CH, β-CH2 | 2.68(dd), 2.35(dd) | |
| aspartate(Asp) | α-CH, β-CH2 | 3.89(dd), 2.82(dd), 2.69(dd) | |
| creatine(Cr) | α-CH2, N-CH3 | 3.95(s), 3.04(s) | |
| choline(Cho) | 1CH2 2,CH2, N(CH3)3 | 4.05(t), 3.51(dd), 3.21(s) | |
| phosphoylcholine(PC) | 1CH2 2,CH2, N(CH3)3 | 4.18(m), 3.60(t), 3.22(s) | |
| sn-glycero-3-phosphocholine(GPC) | 1 CH2 2,CH2, N(CH3)3. glycerol: half 1CH2, half 1CH2 2,CH, half 3CH2, half 3CH2 | 4.33(m), 3.68(m), 3.23(s), 3.60(dd), 3.68(dd), 3.90(m), 3.87(m), 3.94(m) | |
| taurine(Tau) | 1CH2 2,CH2 | 3.43(t), 3.27(t) | |
| myo-inositol(m-Ino) | 1CH 2,CH 3,CH 4,CH 5,CH 6,CH | 3.54(dd), 4.07(t), 3.54(dd), 3.63(t), 3.29(t), 3.63(t) | |
| glycine(Gly) | α-CH2 | 3.57(s) | |
| fumarate(FMA) | CH | 6.52(s) | |
| tyrosine(Tyr) | phenyl moiety: α-CH, β-CH, half β-CH2, half β-CH2 | 7.19(d), 6.92(d), 3.05(dd), 3.19(dd) | |
| phenylalnine(Phe) | phenyl moiety:α-CH, β-CH, γ-CH, half β-CH2, half β-CH2, α-CH | 7.33(d), 7.43(t), 7.37(t), 3.98(dd), 3.27(dd), 3.12(dd) | |
| ATP1 | adenine moiety 2:CH, 8CH, NH2 | 8.58(s), 8.27(s), 6.14(d) | |
| ADP/AMP2 | adenine moiety 2:CH, 8CH', NH2 | 8.60(s), 8.27(s), 6.14(d) | |
| formate(For) | CH | 8.46(s) | |
| nicotinamide adenine dinucleotide(NAD) | Nicotinamide moiety: α-CH, α-CH, γ-CH, β-CH, NH2(CO). Adenine moiety 2:CH, 8CH, NH2 |
|
|
# s, singlet; d, doublet; t, triplet; q, quartet; m, many peaks.
1 ATP, adenosine triphosphate.
2 ADP/AMP, adenosine diphosphate/adenosine monophosphate.