Summary of the identified metabolites in 500 MHz 1H NMR spectra of dried CPH phosphate extracts
| Number | Compound | δ (ppm), J (Hz) |
|---|---|---|
| 1 | Formic acid | 8.446 (s) |
| 2 | Theophylline | 7.748 (s) |
| 3 | Theobromine | 7.734 (s) |
| 4 | Chlorogenic acid | 7.33 (d, 15.8), 7.16 (d, 2.1), 6.46 (d, 15.9) |
| 5 | Tyrosine | 7.07 (d), 6.828 (d, 8.07) |
| 6 | Fumaric acid | 6.512 (s) |
| 7 | Maleic acid | 5.618 (s) |
| 8 | Sucrose | 5.401 (d), 4.211 (d), 3.689 (m) |
| 9 | Glucose | 5.229 (d), 4.641 (d), 3.239 (m) |
| 10 | Gluconic acid | 4.109 (d) |
| 11 | Fructose | 4.12-4.095 (m), 4.010-3.985 (m), 3.698 (s), 3.595 (s), 3.555 (d) |
| 12 | Caffeine | 7.749 (s), 3.345 (s) |
| 13 | Gallic acid | 6.951 (s) |
| 14 | Tartaric acid | 4.331 (s) |
| 15 | Acetoine | 4.44 (q, 7.1) |
| 16 | Myo-inositol | 4.061 (m), 3.618 (m), 3.892 (dd), 3.793 (d), 3.710 (d), 3.699 (dd), 3.556 (d) |
| 17 | Choline | 3.345 (s) |
| 18 | GABA | 3.01 (m), 2.3 (t, 7.1) |
| 19 | Aspartic acid | 2.667 (d), 2.368 (dd) |
| 20 | Succinic acid | 2.399 (s) |
| 21 | Levulinic acid | 2.222 (s) |
| 22 | Acetic acid | 1.912 (s) |
| 23 | Lactic acid | 1.321 (d, 6.9) |
| 24 | Theanine | 1.19 (t, 7.2) |
| 25 | Myristic acid | 1.33 (p, 7.4), 1.17-1.12 (m) 0.89 (t, 6.3) |
Chemical shifts are reported with respect to TSP (δ = 0.000 ppm)