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

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

Metabolites	Group	¹H ppm^a	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
Citrate	γ’CH₂	2.68	d
Creatine/PCreatine	N-CH₃	3.04	s
Creatinine	N-CH₃	3.03	s
Fucose	αCH₃	1.22	d
Fucose	βCH₃	1.25	d
α-Glucose	C₁H	5.23	d
β-Glucose	C₁H	4.64	d
Glutamate	βCH₂	2.12	m
Glutamate	γCH₂	2.34	m
Glutamine	βCH₂	2.14	m
Glutamine	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

Multiplicity definitions: s singlet, d doublet, t triplet, q quartet, dd doublet of doublets, m multiplet
^a ¹H chemical shifts reported with respect to TSP signal (0.00 ppm)

ISSN: 1479-5876