Table 3.
The main constituents of the EtOAc fraction detected using HPLC-MS.
| No. | Rt (min) | MS [M−H]− |
Calculated Molecular Weight |
(ppm) | Molecular Formula |
MS/MS Fragments | Proposed Compounds |
|---|---|---|---|---|---|---|---|
| 1 | 3.3 | 353.0859 | 354.0951 | 5.38 | C16H18O9 | 191.055 (100), 192.053 (5.33) | Chlorogenic acid |
| 2 | 3.57 | 329.0861 | 330.0951 | 1.71 | C14H18O9 | 167.035 (100), 168.037 (7.25), 123.044 (11.27) | Vanillic acid hexose |
| 3 | 3.85 | 289.0691 | 290.079 | 9.18 | C15H14O6 | 121.026 (100), 109.033 (57.83), 125.024 (61.56) | (−)-Epicatechin or catechin |
| 4 | 3.95 | 739.1612 | 740.1682 | −0.31 | C46H28O10 | 569.108 (16), 449.088 (12), 435.074 (13), 339.050 (35), 289.070 (100), 245.080 (18), 177.019 (54), | Catechin-O-digalloyl-C-rhamnoside |
| 5 | 4.2 | 329.0856 | 330.0951 | 6.68 | C14H18O9 | 123.046 (16), 167.0333 (100), 191.031 (14), 209.043 (10) | Vanillic acid hexose isomer |
| 6 | 4.57 | 739.1609 | 740.1682 | 0.07 | C46H28O10 | 289.070 (100), 245.083 (27.42), 217.010 (8.11), 177.018 (94.57), 325.027 (7.07), 339.050 (48.53), 459.068 (33.07) | Catechin-O-digalloyl-C-rhamnoside isomers |
| 7 | 5.36 | 449.1062 | 450.1162 | 4.52 | C21H22O11 | 151.003 (100), 285.039 (48.96) | Eriodictyol-C-hexose |
| 8 | 5.97 | 449.1055 | 450.1103 | −5.42 | C28H18O6 | 151.003 (100), 179.010 (18.04), 199.038 (26.38), 259.058 (14.75), 285.038 (57.16) | Eriodictyol-C-hexose isomers |
| 9 | 6.2 | 451.0994 | 452.1049 | −4.0 | C24H20O9 | 341.064 (100), 231.031 (13.07), 217.013 (62.22), 189.017 (36.88), 177.017 (35.16) | Cinchonain I isomer |
| 10 | 6.99 | 243.0635 | 244.0695 | −5.08 | C9H12N2O6 | 175.073 (100), 99.072 (61.89) | Uridine |
| 11 | 8.37 | 451.0994 | 452.1049 | 0.18 | C24H20O9 | 341.063 (100), 231.029 (35), 217.011 (79), 189.017 (62), 177.018 (36), 151.040 (22), 109.026 (42) | Cinchonain I |
| 12 | 9.46 | 613.1278 | 614.1352 | 0.21 | C37H14N10O | 341.061 (100), 503.092 (52), 393.060 (43), 379.031 (22) | Cinchonain I hexose |
| 13 | 10.18 | 227.068 | 228.076 228.0746 |
2.99 −2.87 |
C9H12N2O5 | 183.076 (7.05), 159.083 (20.33), 144.051 (12.54), 143.048 (100), 119.047 (8) | (2)-2-(Aspartylamino)-4-pentynoic acid |
Note: RT, retention time; MS: precursor ion obtained from mass spectrum; MS/MS: fragment ions of precursor ion obtained from tandem mass spectrum.