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Applied Biological Chemistry

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
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