Table 2.
Primary components identified by UHPLC–MS/MS.
| No | RT (min) | [M + H]+ | MS/MS | [M-H]− | MS/MS | Molecular | Identification | Errors (ppm) |
|---|---|---|---|---|---|---|---|---|
| 1 | 1.60 | 173.0443 | 155.0333 [M-H2O]− | C7H10O5 | Shikimic acid | 3.96 | ||
| 2 | 2.19 | 355.0303 | 275.0197 [M-2H2O-CO2]−, 293.0288 [M-H2O-CO2]−, 337.0203 [M-H2O]− | C14H12O11 | Chebulic acid | 0.44 | ||
| 3 | 2.35 | 191.019 | 111.0073, 87.0073, 85.0280, 129.0180, 191.0549 | C7H12O6 | Quinic Acid | 0.93 | ||
| 4 | 3.10 | 781.0533 | 600.9898 [M-Glu-]−, 301.0002 | C34H22O22 | Punicalin | 1.08 | ||
| 5 | 3.40 | 171.0287 | 127.04, 153.02, 135.01 | 169.0131 | 97.03, 125.02 | C7H6O5 | Gallic Acid | 3.52 |
| 6 | 4.46 | 331.0664 | 125.02, 169.01 | C13H16O10 | Galloyl-glucose | 0.36 | ||
| 7 | 5.22 | 343.0667 | 191.0549, 125.0230 | C14H16O10 | Galloylquinic acid | 0.52 | ||
| 8 | 9.54 | 481.0619 | 300.9953 [M-C6H12O6]− | C20H18O14 | HHDP-glucose | 0.14 | ||
| 9 | 11.39 | 483.0773 | 169.0129, 125.0229, 211.0247, 313.0558 | C20H20O14 | Digalloyl glucoside | 0.37 | ||
| 10 | 11.45 | 481.0618 | 300.9990, 275.0188 | C20H18O14 | HHDP-hexoside | 0.06 | ||
| 11 | 11.51 | 481.0619 | 300.9981, 275.0193, 169.0130, 125.0231 | C20H18O14 | HHDP-hexoside | 0.14 | ||
| 12 | 11.75 | 329.08739 | 167.0336 [M-glucose-H]− | C14H18O9 | Vanillic acid glucose | 0.39 | ||
| 13 | 12.25 | 633.0731 | 300.9983, 275.0192 | C27H22O18 | Corilagin | 0.48 | ||
| 14 | 14.20 | 355.1013 | 193.0489, 259.0597 | C16H18O9 | Magnolioside | 4.57 | ||
| 15 | 14.46 | 291.0144 | 247.0241 | C13H8O8 | Brevifolin-carboxylic acid | 1.06 | ||
| 16 | 14.98 | 651.0835 | 275.0196 | C27H24O19 | Chebulanin | 0.21 | ||
| 17 | 15.33 | 635.0888 | 169.0129, 465.0665, 300.9977, 483.0775 | C27H24O18 | Trigalloyl-glucoside | 0.56 | ||
| 18 | 15.71 | 635.08843 | 465.0684 [M-galloyl-H2O]− 313.0557 [M-2galloyl-H2O]− 301.0002 331.0669 [M-2galloyl]− 483.0794 [M-galloyl]− |
C27H24O18 | Trigalloyl-glucoside | 0.01 | ||
| 19 | 15.81 | 633.0728 | 463.0492, 301.0001 | C27H22O18 | HHDP-galloyl glucose | 0.01 | ||
| 20 | 17.68 | 953.0888 | 300.9984, 463.0477, 633.0623 | C41H30O27 | Galloyl chebuloyl-HHDP Glucose | 0.86 | ||
| 21 | 18.13 | 787.0992 | 635.0907 [M-galloyl]− 483.0786 [M-2galloyl]− |
C34H28O22 | Tetragalloyl glucose | 0.25 | ||
| 22 | 19.66 | 955.1047 | 633.0774 [M-Galloyl-gallic]−, 275.0199, 337.0196, 319.0079 | C41H32O27 | Chebulinic acid | 0.60 | ||
| 23 | 20.40 | 479 | 303.0491 | 477.0667 | 301.0439, 245.0439 | C21H18O13 | Quercetin-3-o-Glucuronide | 0.46 |
| 24 | 20.6 | 303.013 | 257.0078, 285.0022, 275.0176, 303.0134 | C14H6O8 | Ellagic acid | 0.89 | ||
| 25 | 21.75 | 287.0544 | 153.0179, 213.0545 | C15H10O6 | Kaempfero | 1.18 | ||
| 26 | 21.88 | 463.0562 | 287.0543 | 461.0732 | 285.0399 | C21H18012 | kaempferol-3-Oglucuronide | 2.59 |
| 27 | 22.0 | 493.0969 | 317.0649 | 491.0828 | 315.0505 | C22H20O13 | Quercetin-3-Oglucuronide, 6″-methyl ester | 0.46 |
| 28 | 22.60 | 317.0648 | 315.0145 | C16H12O7 | 3-Methylquercetin (Isorhamnetin) | 4.24 | ||
| 29 | 22.60 | 187.03849 | 115.0543, 143.0491 | C11H6O3 | Psoralen | 1.13 | ||
| 30 | 23.0 | 187.0392 | 186.9813, 186.9968, 187.1096, 187.0951 | C11H6O3 | Angelicin | 1.13 | ||
| 31 | 24.7 | 217.0495 | 174.0612, 202.0256, 203.1275, 217.495, 218.0521 | C12H8O4 | Bergapte | 1.11 |