Table 2.
Chromatographic and spectrometric parameters: retention time (RT), chemical formula, theoretical and measured masses (m/z), accuracy, and sensibility for phenolic acids and flavonoids (n = 25) in the investigated canned tomato samples.
| Analyte | RT (min) | Chemical formula | [M-H]−theoretical mass (m/z) | [M-H]−found mass (m/z) | MS/MS fragment ions (m/z) | Accuracy (Δ ppm) | LOD (mg/kg) | LOQ (mg/kg) |
|---|---|---|---|---|---|---|---|---|
| Protocatechuic acid | 2.41 | C7H6O4 | 153.01930 | 153.01857 | 109.02840 | −4.77064 | 0.026 | 0.078 |
| Epicatechin | 2.98 | C15H14O7 | 289.07176 | 289.07202 | 221.94647–203.09201–161.04478 | 0.89943 | 0.013 | 0.039 |
| Caffeic acid | 3.05 | C9H8O4 | 179.03498 | 179.03455 | 134.99960 | −2.40177 | 0.013 | 0.039 |
| Vanillic acid | 3.07 | C8H8O4 | 167.03490 | 167.03428 | 151.03905–123.04387 | −3.71180 | 0.026 | 0.078 |
| Chlorogenic acid | 3.11 | C16H18O9 | 353.08780 | 353.08798 | 191.05594–84.98998 | 0.50979 | 0.013 | 0.039 |
| Catechin | 3.18 | C15H14O6 | 289.07175 | 289.07205 | 247.02241–205.10712–151.03923–125.02335 | 1.03780 | 0.026 | 0.078 |
| Daidzein | 3.29 | C15H9O4 | 253.05063 | 253.04977 | 209.96429–225.00984 | −3.39853 | 0.052 | 0.156 |
| p-coumaric acid | 3.31 | C9H8O3 | 163.04001 | 163.03937 | 119.04917 | −3.92542 | 0.026 | 0.078 |
| Ferulic acid | 3.38 | C10H10O4 | 193.05063 | 193.05016 | 178.02666–149.06009-−134.99963 | −2.43459 | 0.013 | 0.039 |
| Syringic acid | 3.39 | C9H10O5 | 197.04555 | 197.04503 | 182.02153–166.99791 | −2.63898 | 0.026 | 0.078 |
| Genistin | 3.40 | C15H10O5 | 269.04554 | 269.04562 | 241.14435–213.14908–151.03935 | 0.29735 | 0.013 | 0.039 |
| Isoquercetin | 3.51 | C21H20O12 | 463.08820 | 463.08853 | 431.09848–187.09698–174.95542 | 0.71261 | 0.013 | 0.039 |
| Rutin | 3.55 | C27H30O16 | 609.14611 | 609.14673 | 300.99911–271.05026–255.12390 | 1.01782 | 0.013 | 0.039 |
| Naringin | 3.56 | C27H32O14 | 579.17193 | 579.17212 | 515.11951–477.10406–463.08841–359.07724 | 0.32805 | 0.026 | 0.078 |
| Quercetin 3-glucoside | 3.59 | C21H20O12 | 463.08820 | 463.08817 | 447.09344–359.07730 | −0.06478 | 0.026 | 0.078 |
| Vitexin | 3.58 | C21H20O10 | 431.09837 | 431.09824 | 317.03000–174.95531 | −0.30156 | 0.026 | 0.078 |
| Diosmin | 3.60 | C28H32O15 | 607.16684 | 607.16711 | 593.15240–463.08835–447.09323–317.03027 | 0.44469 | 0.013 | 0.039 |
| Ellagic acid | 3.61 | C14H6O8 | 300.99899 | 300.99911 | 245.91669-229.93712-185.01208-117.00336 | 0.39867 | 0.013 | 0.039 |
| Isorhamnetin 3-rutinoside | 3.62 | C28H32O16 | 623.16117 | 623.16223 | 507.10849–447.09338–317.03012–253.05043 | 1.70100 | 0.026 | 0.078 |
| Kaempferol 3-glucoside | 3.63 | C21H20O11 | 447.09328 | 447.09332 | 300.99915-273.07690-227.07104 | 0.08947 | 0.026 | 0.078 |
| Myricetin | 3.64 | C15H10O8 | 317.03029 | 317.03040 | 300.99899–253.05046–128.95857 | 0.34697 | 0.013 | 0.039 |
| Quercetin | 3.75 | C15H10O7 | 301.03538 | 301.03508 | 174.95551 | −0.99656 | 0.013 | 0.039 |
| Naringenin | 3.80 | C15H12O5 | 271.06120 | 271.06110 | 235.92595–151.03917 | −0.36892 | 0.013 | 0.039 |
| Kaempferol | 3.86 | C15H10O6 | 285.04046 | 285.04086 | 93.00679 | 1.40331 | 0.013 | 0.039 |
| Apigenin | 3.93 | C15H10O5 | 269.04555 | 269.04550 | 248.96060–174.95537–91.00249 | −0.18584 | 0.013 | 0.039 |