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Table 3 Chemical profile of Marula stems extracted with ethanol

From: Anti-aging potential of extracts from Sclerocarya birrea (A. Rich.) Hochst and its chemical profiling by UPLC-Q-TOF-MS

Peak # RT (min.) Acquired [M-H] m/z Formula of possible structure Theoretical [M-H] m/z Calculated accurate mass (Da) Possible structure Mass error (ppm) MS/MS Data (fragments) Confirmation with a standard Ref
RT (min.) [M-H] m/z
1 0.69 191.0564 C7H12O6 191.0561 192.0634 Quinic acid (Organic acid) −1.57 173.0243 [M-H] -H2O 0.69 191.0555 [25, 30]
127.0278 [M-H] - CO-2H2O
85.0283 [M-H] - C3H6O3 - H2O
71.0134 [M-H] - C4H8O3 - H2O
59.0145 [M-H] - C5H8O4
2 2.45 289.0713 C15H14O6 289.0717 290.0790 Catechin (Flavonoid) 1.38 109.0289 [M-H] - C10H12O3 2.45 289.0716 [16]
151.0336 [M-H] -C8H10O2
137.0209 [M-H] -C8H8O3
125.0248 [M-H]-C9H10O3
123.0416 [M-H] -C8H7O3 -H2O
3 2.71 647.0876 C28H24O18 647.0890 647.0963 Unidentified 2.16 495.0740     
343.0630  
325.0517  
169.0133  
125.0250  
4 2.93 457.0782 C22H18O11 457.0776 458.0849 Epigallocatechin-3-gallate (Flavonoid) −1.31 305.0670 [M-H] - C7H4O4 2.93 457.0749  
289.0657 [M-H] - C7H4O5
169.0142 [M-H] - C15H12O6
125.0243 [M-H] - C16H13O8
5 3.17 729.1460 C37H30O16 729.1461 730.1534 Epicatechin-3-O-gallate-epicatechin (Proanthocyanidin 0.14 577.1276 [M-H] - C7H4O4    [16]
451.0983 [M-H] - C7H4O4 -C8H8O3 - H2O
407.0798 [M-H] -C15H12O6 -2H2O
289.0717 [M-H] - C7H4O4 - C15H12O6
169.0147 [M-H] - C15H12O6 -2H2O-C15H13O3
125.0240 [M-H] - C15H12O6 -2H2O-C15H13O3 -CO2
6 3.50 881.1577 C44H34O20 881.1571 882.1644 Procyanidin B2-3′3 di-O-gallate (Proanthocyanidin) −0.68 729.1442 [M-H] - C7H4O4    [15, 16]
711.1376 [M-H] - C7H5O5
577.1229 [M-H] - C7H4O4 - C7H5O4
559.1210 [M-H] - C7H5O5 -C7H5O4
407.0760 [M-H] - C16H14O8 - C6H5O3 - H2O
289.0716 [M-H] - C22H17O9 - C7H4O5
169.0142 [M-H] - C22H17O9 - C6H4O5
125.0232 [M-H] - C22H17O9 -C6H4O5 -H2O
7 3.71 441.0817 C22H18O10 441.0827 442.0900 Epicatechin gallate (Flavonoid) 2.27 289.0713 [M-H] - C7H4O4 3.74 441.0842 [15]
169.0138 [M-H] - C15H12O5
125.0234 [M-H] - C15H12O6 -CO2