Table 1 Observed ¹ H and ¹³ C chemical shifts and corresponding assignments for major metabolites

acetate

184.1 (C1)

1.90 (H2)

25.9 (C2)

acetoin (3-hydroxybutanone)

2.21 (H1)

27.8 (C1)

218.0 (C2)

75.6 (C3)

1.37 (H4)

21.1 (C4)

(RR/SS) 2,3-butanediol

1.14 (H1)

20.4 (C1)

3.61 (H2)

74.3 (C2)

ethanol

3.66 (H1)

60.3 (C1)

1.17 (H2)

19.6 (C2)

ethylene glycol

3.66 (H1)

65.3 (C1)

glycerol

3.65 (H1a)

3.55 (H1b)

65.2 (C1)

3.78 (H2)

74.8 (C2)

hydroxyacetone (1-hydroxypropanone)

4.37 (H1)

70.0 (C1)

215.3 (C2)

2.15 (H3)

27.2 (C3)

lactate

185.2 (C1)

4.11 (H2)

70.8 (C2)

1.33 (H3)

22.7 (C3)

propylene glycol (1,2-propanediol)

3.54 (H1a) 3.43 (H1b)

69.3 (C1)

3.87 (H2)

70.6 (C2)

1.13 (H3)

20.7 (C3)