Table 2.
Tentative identification of metabolite compounds in extracts of eight varieties of Mexican berries.
| Tentative Identification | Elemental Formula | Variety Sample |
m/z Experimental |
m/z Theoretical | tR |
|---|---|---|---|---|---|
| Quercetin-3-d-Galactoside * | C21H20O12 | Ras1 | 463.1829 | 463.1211 | 4.86 |
| Ras2 | 463.1829 | 463.1211 | 4.97 | ||
| Ras3 | 463.1829 | 463.1211 | 4.70 | ||
| Blu1 | 463.1741 | 463.1211 | 4.79 | ||
| Blu2 | 463.1741 | 463.1211 | 4.79 | ||
| Blu3 | 463.1741 | 463.1211 | 4.80 | ||
| Bla1 | 463.1829 | 463.1211 | 4.75 | ||
| Bla2 | 463.1829 | 463.1211 | 4.69 | ||
| Malvidin-3-Glucoside * | C23H25O12 | Ras1 | - | - | - |
| Ras2 | - | - | - | ||
| Ras3 | - | - | - | ||
| Blu1 | 491.1996 | 491.119 | 5.94 | ||
| Blu2 | 491.2086 | 491.119 | 3.91 | ||
| Blu3 | 491.2086 | 491.119 | 5.95 | ||
| Bla1 | 491.2813 | 491.119 | 6.24 | ||
| Bla2 | 491.2813 | 491.119 | 6.28 | ||
| Delphinidin 3-Glucoside * | C21H20O12 | Ras1 | - | - | - |
| Ras2 | - | - | - | ||
| Ras3 | - | - | - | ||
| Blu1 | 301.1333 | 301.0349 | 6.58 | ||
| Blu2 | 301.1333 | 301.0349 | 6.56 | ||
| Blu3 | 301.1262 | 301.0349 | 6.68 | ||
| Bla1 | 301.0977 | 301.0349 | 4.80 | ||
| Bla2 | 301.0977 | 301.0349 | 4.69 | ||
| Cyanidin 3-Glucoside * | C21H21O11+ | Ras1 | 447.1505 | 447.1242 | 4.96 |
| Ras2 | 447.1505 | 447.1242 | 4.97 | ||
| Ras3 | 447.1505 | 447.1242 | 5.29 | ||
| Blu1 | 447.1764 | 447.1242 | 5.33 | ||
| Blu2 | 447.1764 | 447.1242 | 5.33 | ||
| Blu3 | 447.1764 | 447.1242 | 5.35 | ||
| Bla1 | 447.1851 | 447.1242 | 2.98 | ||
| Bla2 | 447.1851 | 447.1242 | 3.11 | ||
| Petunidin-3-O-Beta-Glucoside | C22H23O12 | Ras1 | 477.16 | 477.1033 | 4.86 |
| Ras2 | 477.16 | 477.1033 | 4.97 | ||
| Ras3 | 477.16 | 477.1033 | 4.70 | ||
| Blu1 | 477.1868 | 477.1033 | 5.33 | ||
| Blu2 | 477.1957 | 477.1033 | 5.33 | ||
| Blu3 | 477.1764 | 477.1033 | 5.35 | ||
| Bla1 | - | - | - | ||
| Bla2 | - | - | - | ||
| Pelargonidin-3-Glucoside | C21H21O10 | Ras1 | 431.3153 | 431.0978 | 12.33 |
| Ras2 | 431.3068 | 431.0978 | 12.33 | ||
| Ras3 | 431.3068 | 431.0978 | 12.45 | ||
| Blu1 | - | - | - | ||
| Blu2 | - | - | - | ||
| Blu3 | - | - | - | ||
| Bla1 | 431.2898 | 431.0978 | 4.07 | ||
| Bla2 | 431.2898 | 431.0978 | 4.09 | ||
| Peonidin-3-O-Glucoside | C22H23O11 | Ras1 | 461.2635 | 461.1084 | 4.20 |
| Ras2 | 461.2722 | 461.1084 | 5.18 | ||
| Ras3 | 461.2546 | 461.1084 | 4.21 | ||
| Blu1 | 461.2019 | 461.1084 | 3.91 | ||
| Blu2 | 461.2019 | 461.1084 | 3.99 | ||
| Blu3 | 461.2019 | 461.1084 | 3.91 | ||
| Bla1 | - | - | - | ||
| Bla2 | - | - | - | ||
| (-) Epicatechin | C15H14O6 | Ras1 | 289.1659 | 289.0712 | 3.79 |
| Ras2 | 289.1659 | 289.0712 | 3.84 | ||
| Ras3 | 289.1659 | 289.0712 | 3.79 | ||
| Blu1 | - | - | - | ||
| Blu2 | - | - | - | ||
| Blu3 | - | - | - | ||
| Bla1 | - | - | - | ||
| Bla2 | - | - | - | ||
| Ellagic acid | C14H6O8 | Ras1 | 301.0977 | 301.0358 | 4.72 |
| Ras2 | 301.0906 | 301.0358 | 4.70 | ||
| Ras3 | 301.0977 | 301.0358 | 4.70 | ||
| Blu1 | - | - | - | ||
| Blu2 | - | - | - | ||
| Blu3 | - | - | - | ||
| Bla1 | - | - | - | ||
| Bla2 | - | - | - | ||
| p-Coumaric acid | C9H8O3 | Ras1 | - | - | - |
| Ras2 | 163.1315 | 163.0395 | 4.42 | ||
| Ras3 | 163.1315 | 163.0395 | 4.21 | ||
| Blu1 | - | - | - | ||
| Blu2 | - | - | - | ||
| Blu3 | - | - | - | ||
| Bla1 | - | - | - | ||
| Bla2 | - | - | - | ||
| Gallic acid | C7H6O5 | Blu1 | 169.0798 | 169.0606 | 9.03 |
| Blu2 | 169.0798 | 169.0606 | 5.33 | ||
| Blu3 | 169.0824 | 169.0606 | 5.35 | ||
| Caffeic acid | C15H10O4 | Blu1 | 179.0695 | 179.0345 | 4.16 |
| Blu2 | 179.0641 | 179.0345 | 0.52 | ||
| Blu3 | 179.1408 | 179.0345 | 1.67 | ||
| Catechin | C15H14O6 | Bla1 | 289.1659 | 289.1219 | 3.79 |
| Bla2 | 289.1729 | 289.1219 | 3.96 | ||
| Salicylic acid | C7H6O3 | Bla1 | 137.1133 | 137.0249 | 5.72 |
| Bla2 | 137.1133 | 137.0249 | 5.70 |
tR: retention time, * symbol indicates the theoretical mass-to-charge ratio (m/z) obtained with pure standards, while theoretical m/z without the symbol was obtained from the MassBank of North America (MoNA) (https://mona.fiehnlab.ucdavis.edu/, accessed on 7 July 2021).