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Table 3 Proton chemical shifts of metabolites identified in 500-MHz 1H-NMR spectra of plasma samples

From: Blood metabolomic fingerprint is distinct in healthy coronary and in stenosing or microvascular ischemic heart disease

Metabolites Group 1H ppma 1H Multiplicity
2-Hydroxybutyrate CH3 0.90 t
CH2 1.68 m
CH 4.02 dd
3-Hydroxyburyrate CH3 1.20 d
CH2 2.35 dd
CH 4.12 m
Acetate CH3 1.91 s
Alanine CH3 1.37 d
Citrate γCH2 2.55 d
γ’CH2 2.68 d
Creatine/PCreatine N-CH3 3.04 s
Creatinine N-CH3 3.03 s
Fucose αCH3 1.22 d
βCH3 1.25 d
α-Glucose C1H 5.23 d
β-Glucose C1H 4.64 d
Glutamate βCH2 2.12 m
γCH2 2.34 m
Glutamine βCH2 2.14 m
γCH2 2.43 m
Isobutyrate CH3 1.20 d
Isopropanol CH3 1.12 d
Isoleucine βCH 1.98 m
γCH 1.46 m
γ’CH 1.25 m
γ’CH3 0.99 d
δCH3 0.93 t
Lactate βCH3 1.32 d
αCH 4.10 q
εCH2 3.02 t
Leucine βCH2 1.72 m
γCH 1.76 m
δCH3 0.94 d
Lysine βCH2 1.90 m
γCH2 1.46 m
δCH2 1.72 m
N-acetyl group CH3 2.06 s
  1. Multiplicity definitions: s singlet, d doublet, t triplet, q quartet, dd doublet of doublets, m multiplet
  2. a 1H chemical shifts reported with respect to TSP signal (0.00 ppm)