Table 1.
UHPLC-QTOF-MSMS identified in the typical base peak chromatogram (BPC) of PCWater samples.
| Peak no. | Retention (min) | Molecular formula | Measured mass m/z (error, ppm) | MS/MS fragments ions | Identification |
|---|---|---|---|---|---|
| 1 | 2.823 | C14H12O11 | 355.0311 (-0.61) | 193.0139, 163.0401, 179.0721 | Chebulagic acid [25] |
| 2 | 3.841 | C7H12O6 | 191.0561 (-1.51) | 123.1132, 138.2661, 162.1097 | Citrate acid [26] |
| 3 | 8.461 | C7H6O5 | 169.0144 (-0.91) | 125.0252, 117.0357, 103.0188 | Gallic acid [25] |
| 4 | 11.499 | C16H18O9 | 353.0875 (0.87) | 191.0572, 135.0458, 155.0352 | Chlorogenic acid [27] |
| 5 | 11.896 | C13H8O8 | 291.0150 (-1.23) | 247.0265, 191.0361, 219.0310 | Brevifolin carboxylic acid [28] |
| 6 | 13.045 | C27H22O18 | 633.0742 (-1.42) | 481.0373, 301.9995, 169.0251 | Corilagin [29] |
| 7 | 16.314 | C21H20O12 | 463.0888 (1.20) | 301.0533, 179.0153, 125.0256 | Quercetin-3-O-galactoside [25] |
| 8 | 18.014 | C14H6O8 | 301.0002 (-4.02) | 145.0308, 117.0357, 173.0249 | Ellagic acid [25] |
| 9 | 18.375 | C15H12O8 | 319.0475 (-1.9) | 217.1129, 245.0381, 213.0478 | Dihydromyricelin [30] |
| 10 | 20.255 | C21H20O11 | 447.0931 (0.41) | 301.0060, 179.0000, 121.0306 | Quercitrin [31] |
| 11 | 26.613 | C22H18O13 | 489.0674 (0.1) | 299.3215, 271.0915, 125.0032 | Enyssoside [32] |
| 12 | 27.540 | C16H10O8 | 329.0306 (-0.9) | 298.1564, 270.1088, 314.0599 | 3,3′-Dimethyl ellagic acid [25] |
Error (ppm): the difference between experimental mass and theoretical mass of the compound; indicated compound 8 undetected in PC sample; the compounds 1, 2, 3, 4, 5, 6, 8, and 10 were confirmed by chemical reference standards.