Table 2.
Chemical shift (δ) and assignment of metabolite resonances in the 1H NMR spectrum of fish blood plasma.
| Metabolites | δ (ppm) |
|---|---|
| cholesterol | 0.74 (m a, CH3) |
| lipoprotein | 0.83 (t), 0.85 (t), 0.86 (t), 0.88 (t), 0.93 (t), 0.98 (t), 1.05 (t) (CH3CHn) |
| leucine | 0.96 (d, CH3), 0.98 (d, CH3), 1.72 (m, CH), 1.73 (m, CH) |
| isoleucine | 0.94 (t, CH3), 1.02 (d, CH3) |
| valine | 1.00 (d, CH3), 1.05 (d, CH3) |
| lactate | 1.33 (d, CH3), 4.11, (q, CH) |
| alanine | 1.48 (d, CH3), 3.80 (m, CH) |
| lipoprotein | 1.20 (m), 1.25 (m), 1.26 (m), 1.31 (m) (CH2)n |
| acetate | 1.94 (s, CH3) |
| lipid | 1.51 (m), 1.55 (m) (CH2CH2CO) |
| lipid | 1.44, 1.52, 1.68 (m) (CH2CH2C=C) |
| lipid | 1.98, 2.04, 2.08, 2.14, 2.19 (CH2C=C) |
| lipid | 2.23 (m), 2.35, 2.42, 2.46, (CH2CO) |
| lipid | 2.65, 2.69, 2.76, 2.77, 2.78 (m) (C=CCH2C=C) |
| lipid | 5.31 (m) (HC=CH) |
| methionine | 2.14 (s, S-CH3), 2.66 (t, CH2), 3.80 (t, CH) |
| glutamate | 2.07 (m, CH2), 2.35 (m, CH2) |
| glutamine | 2.14 (m, CH2), 2.45 (m, CH2) |
| citrate | 2.54 (d, CH2), 2.67 (d, CH2) |
| choline | 3.24 (s, N(CH3)3) |
| TMAO | 3.27 (s, N(CH3)3) |
| betaine | 3.27 (s, N(CH3)3), 3.91 (s, CH2) |
| taurine | 3.27 (t, CH2NH), 3.42 (t, CH2SO3) |
| glycine | 3.59 (s, CH) |
| glycerol | 3.56 (dd, CH2), 3.66 (dd, CH2), 3.89 (m, CH) |
| α-glucose | 5.24 (d, CH) |
| β-glucose | 4.65 (d, CH) |
| tyrosine | 6.91 (m, C3,5H ring), 7.20 (m, C2,6H ring) |
| phenylalanine | 7.43 (m, C3,5H), 7.38 (m, C4H), 7.33 (m, C2,6H) |
| hypoxanthine | 8.20 (s, C2H), 8.21 (s, C8H) |
| adenosine | 8.24 (s, C2H), 8.35 (s, C8H) |
| formate | 8.46 (s, CH) |
a Letters in parentheses indicate the peak multiplicities; s, singlet; d, doublet; t, triplet; dd, doublet of doublet; m, multiplet.