Table 2. Peak attribution of the main marked metabolites in 1H-NMR spectra of plasma samples.
Key | Metabolites | Moieties | δ1H/ppm and multiplicity/Hz | Key | Metabolites | Moieties | δ1H/ppm and multiplicity/Hz |
---|---|---|---|---|---|---|---|
1 | 2-OH-butyrate | γCH3 | 0.90 (t, 7.47) | 17 | Isoleucine | δCH3 γ’CH3 | 0.94 (t, 7.4) 1.02 (d, 7.0) |
2 | 3-OH-butyrate | γCH3 αCH | 1.20 (d, 6.60) 4.15 (m) | 18 | Lactate | βCH3 αCH | 1.33 (d, 6.9) 4.12 (q, 6.9) |
3 | Acetate | βCH3 | 1.93 (s) | 19 | Leucine | δCH3 αCH2 | 0.96 (d) 3.73 (m) |
4 | Acetoacetate | CH3 CH | 2.28 (s) 3.48 (s) | 20 | Lipids | CH3 (CH2)n | 0.84 (t) 1.28 (m) |
5 | Alanine | βCH3 CH | 1.48 (d, 7.3) 3.77 (m) | 21 | Methionine | γCH2 S-CH3 | 2.62 (t, 7.58) 2.14 (s) |
6 | Betaine | N(CH3)3 CH2 | 3.27 (m) 3.89 (s) | 22 | Methylamine | CH3 | 2.61 (s) |
7 | Carnitine | N(CH3)3 | 3.21 (s) | 23 | Methanol | CH3 | 3.36 (s) |
8 | Choline | N(CH3)3 | 3.20 (s) | 24 | N-acetyl-glycoproteins | CH3 | 2.04 (s) |
9 | Citrate | Half CH2 Half CH2 | 2.54 (d, 16.1) 2.65 (d, 16.2) | 25 | Phosphatidylcholine | N(CH3)3 | 3.22 (s) |
10 | Creatine | N-CH3 CH2 | 3.93 (s) 3.04 (s) | 26 | Phenylalanine | 2 and 6-CH 3 and 5-CH | 7.33 (m) 7.42 (m) |
11 | Cysteine | CH CH2 | 3.97 (dd) 3.06 (m) | 27 | Proline | αCH2 βCH2 | 1.99 (m) 2.34 (m) |
12 | Glutamine | αCH βCH2 | 2.16 (m) 2.45 (m) | 28 | Pyruvate | CH3 | 2.38 (m) |
13 | Glutamate | βCH2 γCH2 | 2.07 (m) 2.35 (m) | 29 | Trimethylamine oxide | CH3 | 3.26 (m) |
14 | Glycine | αCH2 | 3.57 (s) | 30 | Tyrosine | 3 and 5-CH 2 and 6-CH | 6.90 (m) 7.19 (m) |
15 | glycerol | CH2 CH | 3.67 (m) 3.78 (m) | 31 | Valine | γCH3 γ’CH3 | 0.99 (d, 7.1) 1.05 (d, 7.0) |
16 | Histidine | 2-CH 4-CH | 7.68 (s) 7.10 (s) | 32 | Glucose | C1H | 5.22 (d, 3.7) 4.64 (d, 8.0) |
as: singlet, d: doublet, t: triplet, q: quartet, m: multiplet, dd: doublet of doublet.