Skip to main content

Table 3 1H-NMR chemical shift (δ) of metabolite resonances of cv. Italia table grapes juice

From: Biodynamic, organic and integrated agriculture effects on cv. Italia table grapes juice, over a 3-year period experiment: an 1H NMR spectroscopy-based metabolomics study

Metabolites

δ (ppm)

Leucine

0.94 (da), 0.96 (d)

Isoleucine

1.00 (d)

Valine

1.03 (d)

Ethanol

1.18 (t)

Lactate

1.32 (d)

Alanine

1.46 (d), 3.79 (q)

Arginine

1.61–1.79 (m), 1.88–1.97 (m), 3.24 (dd), 6.52–6.80* (m), 7.21–7.29* (m)

γ-aminobutyrate (GABA)

1.90 (qu), 2.35 (t), 3.02 (t)

Proline

1.97–2.04 (m), 2.05–2.10 (m), 2.32–2.39 (m)

Glutamine

2.11–2.17 (m), 2.44–2.50 (m)

Malate

2.66 (dd), 2.82 (dd), 4.42 (dd)

Citrate

2.78 (d), 2.88 (d)

α-D-glucose

3.43 (dd), 3.50 (dd), 5.22 (d)

β-D-glucose

3.26 (dd), 3.40 (dd), 3.48 (t), 4.66 (d)

Fructose

4.01 (dd), 4.10 (d)

Tartaric acid (free)

4.46 (s)

Hydroxicinnamic acids

6.43 (d), 6.46 (d), 7.60 (d), 7.63 (d)

Fumarate

6.68 (s)

Tyrosine

6.91 (d), 7.19 (d)

Syringate

7.26 (s)

Phenylalanine

7.30 (d), 7.40–7.44 (m)

Trigonelline

8.08 (t), 8.80–8.86 (m), 9.13 (s)

Formate

8.66 (s)

  1. aLetters in parentheses indicate the peak multiplicities; s = singlet; d = doublet; t = triplet; q = quartet; qu = quintet; dd = doublet of doublet; m = multiplet
  2. *Multiplets at δ 6.52–6.80 and δ 7.21–7.29 could be assignable to the side chain amide protons of arginine at acidic pH. However, as broad signals they were not considered [58]