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. 2020 Dec 14;25(24):5916. doi: 10.3390/molecules25245916

Table 1.

Compounds characteristic for ethanol pomegranate (Punica granatum L.) peel extracts. The table presents the experimental monoisotopic mass of the identified compound (M), molecular formula, precursor ion m/z, mass error (ppm) and fragment ions m/z.

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