Metabolite | Chemical shift | Multiplicity/Coupling constant |
---|---|---|
cis - Caffeoyl derivative | δ 5.91 | (d, J = 13.0 Hz) |
 | δ 6.89 | (d, J = 8.5 Hz) |
 | δ 6.95 | (d, J = 13.0 Hz) |
 | δ 7.56 | (d, J = 8.5 Hz) |
cis -Coumaroyl derivative | δ 5.93 | (d, J = 13.0 Hz) |
 | δ 6.83 | (d, J = 9.5 Hz) |
 | δ 7.02 | (d, J = 13.0 Hz) |
 | δ 7.58 | (d, J = 9.5 Hz) |
trans -caftaric acid (caffeic acid conjugated with tartaric acid) | δ 7.64/δ 7.15 | (d, J = 16.0 Hz)/(d, J = 2.0 Hz) |
 | δ 7.07 | (dd, J = 8.5 Hz, 2.0 Hz) |
 | δ 6.88 | (d, J = 8.5 Hz) |
 | δ 6.38 | (d, J = 16.0 Hz) |
 | δ 5.51 | (s) |
Sucrose | δ 5.39 | (d, J = 3.9 Hz) |
α-Glucose | δ 5.17 | (d, J = 3.5 Hz) |
β-Glucose | δ 4.56 | (d, J = 7.5 Hz) |
Tartaric acid | δ 4.50 | (s) |
Malic acid | δ 2.67 | (dd, J = 16.0, 7.0) |
 | δ 2.82 | (dd, J = 16.0, 4.5) |
 | δ 4.43 | (dd, J = 7.0, 4.5) |
Choline | δ 3.22 | (s) |
Citric acid | δ 2.93 | (d, J = 16.0 Hz) |
 | δ 2.76 | (d, J = 16.0 Hz) |
Succinic acid | δ 2.62 | (s) |
Proline | δ 2.35 | (m) |
 | δ 3.37 | (m) |
Glutamate | δ 2.44 | (td, J = 16.2, 7.5) |
 | δ 2.13 | (m) |
Acetic acid | δ 1.91 | (s) |
Arginine | δ 1.92 | (m) |
 | δ 1.72 | (m) |
Alanine | δ 1.48 | (d, J = 7.4 Hz) |
Threonine | δ 1.32 | (d, J = 6.5 Hz) |
ethyl-β -glucoside | δ 1.21 | (t, J = 7) |
Valine | δ 1.06 | (d, J = 7.0 Hz) |
 | δ 1.01 | (d, J = 7.0 Hz) |
Leucine | δ 0.96 | (d, J = 7.5) |
 | δ 0.98 | (d, J = 7.5) |
 | Trace amounts |  |
γ-Aminobutyric acid (GABA) | δ 1.90 | (m) |
 | δ 2.31 | (t, J = 7.5) |
 | δ 3.01 | (t, J = 7.5) |
α-Linolenic acid | δ 0.95 | (t, J = 7.5) |
 | Trace amounts |  |
Gallic acid | δ 7.03 | (s) |
 | Trace amounts |  |
Ascorbic acid | δ 4.59 | (d. J = 2.0 Hz) |
Syringic acid | δ 3.89 | (s) |
 | δ 7.31 | (s) |
 | Trace amounts |  |
Vanillic acid | δ 6.77/δ 7.22 | (d, J = 8.2)/(m) |
Methionine | δ 2.15 | (s) |
 | δ 2.65 | (t, J = 8.0) |