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. 2016 Sep 21;6:33820. doi: 10.1038/srep33820

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.