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Table 1 Metabolites identified in the powdered ginseng from NMR data: assigned chemical shifts (multiplicities), relative concentrations

From: Machine learning for a rapid discrimination of ginseng cultivation age using 1H-NMR spectra

Metabolite name Chemical shifts δ 1H (ppm), multiplicity Relative concentrations (%)
4 years 5 years 6 years
4-Aminobutyrate 2.29 (t), 1.89 (m), 3.00 (t) 0.7483 0.5596 0.6598
Alanine 1.46 (d), 3.78 (q) 0.4255 0.4903 0.9251
Arginine 1.66 (m), 1.91 (m), 3.27 (t), 3.77 (t) 7.8227 7.4908 9.5260
Asparagine 2.94 (dd), 2.84 (dd) 0.6440 0.8331 1.3128
Aspartate 2.67 (dd), 2.81 (dd) 1.0417 1.1327 1.2112
Choline 3.18 (s) 3.50 (dd), 4.05 (t) 0.4441 0.2738 0.2984
Ethanolamine 3.13 (t), 3.83 (t) 0.1699 0.1313 0.1381
Fumarate 6.51 (s) 0.0826 0.0545 0.0670
Glucose 3.65–3.92 (m), 5.22 (d), 4.63 (d) 3.6931 4.1924 2.8540
Glutamate 2.04 (m), 2.13 (m), 2.33 (m), 3.36 (m) 0.9006 0.7732 0.9592
Glutamine 2.11 (m), 2.14 (m), 2.42 (m), 2.46 (m) 3.76 (t) 3.8839 2.4603 2.6230
Isoleucine 0.92 (t), 1.00 (d), 1.24 (m) 1.45 (m) 0.2511 0.1446 0.1848
Leucine 0.94 (d), 0.95 (d) 1.71 (m), 3.73 (m) 0.5503 0.3288 0.3505
Malate 2.41 (dd), 2.69 (dd), 4.33 (dd) 0.8298 2.1772 2.7428
myo-Inositol 3.27 (t), 3.53 (dd), 3.62 (t), 4.05 (t) 0.0496 0.0190 0.0203
Phosphocholine 3.21 (s) 0.2421 0.1788 0.1930
Phenylalanine 7.33 (d), 7.37 (m), 7.43 (m) 0.3864 0.2516 0.2930
Proline 2.00 (m), 2.34(m), 3.32 (m), 3.41(m), 4.12 (dd) 74.8584 76.3855 72.9590
Glycerophosphocholine 3.21 (s) 0.2714 0.2534 0.3033
Sucrose 5.40 (d), 4.20 (d), 4.03 (t), 3.88 (m), 3.82 (m), 3.75 (t), 3.67 (s), 3.65 (s), 3.54 (dd), 3.46 (t) 0.2434 0.2339 0.2893
Threonine 1.32 (d), 3.57 (d), 4.25 (m) 0.3300 0.1979 0.2336
Tyrosine 6.89(d), 7.18 (d) 1.8735 1.2515 1.6550
Valine 0.98 (d), 1.03 (d), 2.26 (m) 0.2577 0.1861 0.2007
  1. S singlet, d doublet, t triplet, m multiplet, dd doublet of doublet