Table 1.
Tentative Identification | M | Molecular Formula | m/z Precursor | Error/ppm | m/z Fragment Ions | |
---|---|---|---|---|---|---|
Citric acid | 192.0270 | C6H8O7 | 191.0206 (-) | −4.67 | 111.0089, 87.0092 | |
Ellagic acid | 302.0063 | C14H6O8 | 300.9991 (-) | −0.41 | 257.0040, 228.9988, 145.0266 | |
Epigallocatechin | 306.0740 | C15H14O7 | 305.0670 (-) | −1.11 | 139.0370, 125.0222 | |
Galloyl hexose | 332.0743 | C13H16O10 | 331.0677 (-) | −1.90 | 169.0090, 71.0162 | |
Ellagic acid O-pentoside | 434.0485 | C19H14O12 | 433.0413 (-) | −0.16 | 300.9822, 299.9749 | |
Ellagic acid O-hexoside | 464.0591 | C20H16O13 | 463.0517 (-) | 0.29 | 300.9845, 299.9763 | |
Hexahydroxydiphenoyl (HHDP)-hexoside | 482.0697 | C20H18O14 | 481.0622 (-) | 0.32 | 300.9802, 275.0057 | |
Digalloyl hexose | 484.0853 | C20H20O14 | 483.0777 (-) | 0.68 | 331.0461, 271.0339, 169.0097 | |
Galloyl-HHDP hexose | 634.0806 | C27H22O18 | 633.0731 (-) | 0.37 | 362.9182, 300.9809, 275.0061 | |
Lergastannin C | 650.0755 | C27H22O19 | 649.0965 (-) | −1.92 | 300.9841, 191.0130 | |
Punicalin | 782.0603 | C34H22O22 | 781.0539 (-) | −1.16 | 600.9501, 300.9854, 275.0084 | |
Pedunculagin I | 784.0759 | C34H24O22 | 783.0698 (-) | −1.42 | 300.9810, 275.0050 | |
Peducalangin II | 785.0832 | C34H24O22 | 785.0848 (-) | −2.04 | 633.0165, 300.9799, 275.0057 | |
Peducalangin III | 934.0712 | C41H26O26 | 933.0643 (-) | −0.37 | 783.0121, 720.9766, 600.9431, 300.9826, 275.0057, 191.0153 | |
Casuarinin | 936.0869 | C41H28O26 | 935.0782 (-) | 1.30 | 633.0200, 331.0475, 300.9801, 275.0032 | |
Granatin like | 938.1025 | C41H30O26 | 937.0939 (-) | 1.41 | 787.0197, 785.0197, 300.9799 | |
Granatin B | 952.0818 | C41H28O27 | 951.0753 (-) | −0.87 | 783.0008, 605.02841, 300.98300 | |
Punicalagin derivative | 980.1138 | C43H32O27 | 979.1065 (-) | −0.67 | 300.9834, 61.9912 | |
Punicalagin α Punicalagin β |
1084.0665 | C45H28O30 | 1083.0603 (-) | −0.98 | 780.9933, 600.9470, 450.9654 |