Comparative analyses of metabolic fingerprint integrated with cytotoxic activity and in silico approaches of the leaves extract of Spondias mombin L. and Spondias tuberosa Arr. Cam. from Northeast, Brazil

Exploring the Chemical Profiles and Biological Values of Two Spondias Species (S. dulcis and S. mombin): Valuable Sources of Bioactive Natural Products

“…Accordingly, the aforementioned compounds were ascribed as galloyl-HHDP-hexoside isomers. This assumption was in line with the presence of monomeric ellagitannin corilagin previously annotated in S. mombrin and S. tuberosa [ 26 ]. In the same way, digalloyl-HHDP-hexoside isomers 24, 27 and 35 at m/z 785.084 [M-H] − were evidenced at by the characteristic losses of 484 Da (152 + 152 + 162 + 18) consistent with two galloyl and hexosyl residues.…”

“…On the other hand, epigallocatechin was observed at m/z 287.056 (C 15 H 21 O 6 ) together with a series of fragment ions at m/z 269.045 [M-H-GA-H 2 O] − , 261.076 [M-H-GA-CO] − , 243.066 [M-H-GA-CO 2 ] − , and 219.066 [M-H-GA-CO-CO 2 ] − . Thus, 10 was tentatively identified as epigallocatechin gallate previously reported in S. tuberosa [ 26 ].…”

“…Compound 95 [M-H]- at m/z yielded a precursor ion at m/z 341.108 (C 12 H 22 O 11 ) together with the fragment ions at m/z 179.055 ([M-H-Hex] − and 89.022 ([M-H-Hex-90] − suggesting disaccharide sucrose, previously found in Spondias species [ 26 ]. Regarding 98, a base peak at m/z 151.038, together with prominent fragment ions at m/z 136.015 and 121.028 are in accordance with the furofuran lignan pinoresinol [ 38 ].…”

“…Compound 31 from S. mombrin leaves was deduced from the transitions 953.090 → 463.168 ([M-H-HHDP-H 2 O-GA] − and 463.168 → 300.999 ([EA-H] − ] ( Table 1 ). It was assigned to galloyl-bisHHDP-hexoside [ 26 ]. Type III ellagitannin galloyl-HHDP-DHHDP-hexoside (22) was evidenced by the fragment ions at m/z 463.052 [M-H-C 21 H 12 O 14 ] − , 343.009 and 300.999 suggesting the concomitant loss of DHHDP and gallic acid (−488 Da), subsequent cross-ring cleavage of hexose unit ( 0,2 X, −120 Da) and EA, respectively.…”

“…Compound 20 ([M-H] − at m/z 291.045, C 13 H 7 O 8 , 0.755 ppm) gave and a base peak at m/z 247.025 and a series of low abundant ions at 219.030 [M-H-CO 2 -CO] − , 191.034 [M-H-CO 2 -2CO] − , 163.039 [M-H-CO 2 -3CO] − , 135.044 [M-H-CO 2 -4CO] − , and 107.049 [M-H-CO 2 -5CO] − ( Table 1 ). Based on the comparison with date from the literature, 20 was annotated as brevifolin carboxylic acid [ 26 , 30 ]. Concerning 26 ([M-H] − at m/z 247.025), there was mass difference of 44 Da with 20 indicating that the associated molecule missed a carboxyl group; the MS/MS spectrum matched that of 20 ( Table 1 ).…”