Table 3.
S. No. | Retention time (min) | Observed. [M-H]− | Error (ppm) | Molecular formula | Fragment ions (Relative intensity %) | Compounds | Distribution |
|||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PEB | PEF | PEL | PA | PFL | PFT | PFS | PN | |||||||
1 | 6.01 | 191.0565 | 0.26 | C7H12O6 | 127.0428, 109.0315, 93.0369, 85.0318 (100), 81.0366, 59.0165, 43.0214 | Quinic acid† | + | + | + | + | + | + | + | + |
2 | 7.27 | 179.0380 | 0.12 | C9H8O4 | 135.0444 (100) | Caffeic acid† | + | + | + | + | – | – | + | |
4 | 9.16 | 169.0130 | 1.02 | C7H6O5 | 125.0232 (100) | Gallic acid† | – | + | + | + | + | + | – | – |
5 | 10.28 | 167.0370 | 0.41 | C8H8O4 | 151.0003 (9), 123.0441 (67), 107.0105 (9), 95.0472 (11), 83.012 (67), 81.0337 (100), 63.0250 (6), 57.0366 (13) | Vanillic acid† | – | – | – | – | – | – | – | + |
6 | 10.53 | 315.0713 | 3.19 | C13H16O9 | 152.0093 (100), 108.0215 (55) | Gentisic acid-O-hexoside | + | + | + | + | + | – | – | + |
7 | 10.55 | 289.0718 | C15H14O6 | 247.0240 (100), 205.0494 (9), 151.0391 (6), 125.0231 (10) | (+)-catechin† | + | + | – | – | – | – | – | – | |
8 | 11.68 | 291.0148 | −0.72 | C13H8O8 | 247.0228 (100), 219.0282 (11), 191.0336 (23), 175.0336 (6) | Brevifolincarboxylic acid | + | + | + | + | + | – | – | + |
9 | 11.74 | 289.0720 | 0.54 | C15H14O6 | 247.0229 (72), 245.0812 (32), 221.0795 (22), 203.0695 (62), 161.0584 (28), 151.0375 (49), 137.0221 (35), 125.0226 (67), 123.0434 (69), 109.0281 (100) | Epicatechin† | + | – | – | – | – | – | – | – |
10 | 11.85 | 625.1046 | 0.23 | C26H26O18 | 300.9990 (100) | Ellagic acid-O-dihexoside | + | + | – | – | – | – | – | – |
11 | 11.99 | 463.0518 | 0.12 | C20H16O13 | 300.9979 (100), 299.9909 (51), 243.9948 (3) | Ellagic acid-O-hexoside | + | + | + | + | + | + | + | + |
12 | 12.15 | 477.0310 | 1.02 | C10H10O4 | 300.9967 (86) | Ellagic acid-O-glucuronide | + | + | – | – | – | – | – | – |
13 | 12.18 | 194.0578 | −0.12 | C10H10O4 | 178.0266 (45), 134.0362 (100) | Ferulic acid† | – | – | – | – | – | – | – | + |
14 | 12.22 | 441.0829 | 0.12 | C22H18O10 | 289.0686 (34), 245.0787 (16), 169.021 (100), 125.0214 (23) | Catechin 3-gallate | + | – | – | – | – | – | – | – |
15 | 12.23 | 253.0506 | 0.23 | C15H10O4 | 152.0124 (100), | Chrysin† | + | + | + | + | + | + | + | + |
17 | 12.29 | 183.0299 | −0.02 | C8H8O5 | 169.016 (14), 124.0131 (100) | Methyl gallate | + | + | + | + | + | – | – | + |
22 | 13.05 | 305.0305 | 0.81 | C14H10O8 | 273.0022 (3), 245.0091 (33), 217.0137 (100), 201.0193 (15), 189.0189 (58), 161.0243 (82), 145.0286 (44), 133.0292 (63) | Methyl brevifolincarboxylate | – | – | + | + | + | + | + | + |
23 | 13.11 | 433.0411 | 0.42 | C19H14O12 | 300.9964 (100), 299.9934 (81), 271.9887 (2), 243.9948 (3) | Ellagic acid-O-arabinoside | + | + | + | + | + | + | + | + |
27 | 13.44 | 247.0248 | 2.23 | C12H8O6 | 219.0309 (38), 191.0352 (100), 173.0249 (52), 145.0297 (79) | Brevifolin | + | + | + | + | + | + | ||
31 | 13.83 | 197.0444 | 5.93 | C9H10O5 | 169.0131 (16), 124.0156 (100) | Ethyl gallate | – | – | + | + | + | + | + | + |
34 | 13.98 | 319.0459 | 2.29 | C15H12O8 | 273.0040 (62), 245.0099 (100), 229.0154 (10), 217.0142 (100), 201.0201 (11), 189.0194 (14) | Ethyl brevifolincarboxylate | – | – | + | + | – | – | – | – |
35 | 14.07 | 300.999 | 0.33 | C14H6O8 | 283.9975 (66), 245.0085 (36), 229.0135 (45), 200.0103 (58), 185.0242 (39), 173.0232 (60), 145.0299 (100) | Ellagic acid† | + | + | + | + | + | + | – | + |
36 | 14.12 | 289.0718 | 1.23 | C15H14O6 | 247.0242 (100), 245.0817 (8), 221.0851 (52), 203.0660 (67), 151.0374 (68) | Propyl-O-methyl Brevifolin | – | + | + | – | – | – | – | |
37 | 14.34 | 163.0411 | 1.02 | C9H8O3 | 119.0414 (100) | Coumaric acid† | + | + | + | + | + | + | + | + |
39 | 14.56 | 287.0586 | 1.23 | C15H12O6 | 151.0029 (100), 135.0446 (86), 125.0240 (4), 107.0138 (19) | Eriodictyol† | – | – | – | + | – | – | – | + |
42 | 15.06 | 315.0149 | 0.93 | C15H8O8 | 299.9888 (100) | Methy-O-ellagic acid† | + | – | – | – | – | – | – | – |
44 | 15.19 | 153.0196 | 1.39 | C7H6O4 | 109.0284 (100) | Protocatechuic acid† | – | – | + | + | – | – | – | – |
47 | 16.08 | 329.0304 | −0.40 | C16H10O8 | 314.0060 (100), 298.9824 (24), 270.9910 (8) | Dimethyl-O-ellagic acid | + | – | – | – | – | – | – | – |
49 | 18.14 | 343.0416 | 0.23 | C17H12O8 | 328.0259 (17),312.9999 (100), 297.9739 (64), 285.0023 (18), 269.9803 (19) | Trimethyl-O-ellagic acid | + | + | + | + | + | + | + | + |
46 | 15.91 | 285.0405 | 0.12 | C15H10O6 | 151.0035 (31), 133.0289 (100), 121.0290 (4), 107.0149 (15) | Luteolin† | – | – | + | – | – | – | + | |
50 | 33.18 | 455.3535 | 0.21 | C30H48O3 | Betulinic acid† | + | + | + | + | + | + | + | + | |
51 | 34.03 | 455.3537 | 0.34 | C30H48O3 | 307.3314 (7) | Oleanolic acid† | + | + | + | + | + | + | + | + |
PEB: P. emblica bark; PEF: P. emblica fruit; PEL: P. emblica leaf; PA: P. amarus; PFL: P. fraternus leaf; PFT: P. fraternus twig; PFS: P. fraternus stem; PN: P. niruri
matched with reference compounds