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)
aMultiplicity for 1H resonances: s, singlet; d, doublet; t, triplet; q, quartet; m, multiplet; dd, doublet of doublet. Peak multiplicities were extracted from spectral deconvolution of selected samples using Chenomx.
bAbbreviations: GPC, glycerophosphocholine; AMP, Adenosine monophosphate; ATP, Adenosine triphosphate; ADP, Adenosine diphosphate.
Table 1: Peak assignments of metabolites in lung tissue extracts.