Table 2.
Identified compounds in the analyzed smoothies by HPLC-ESI-TOF-MS.
| N° | Time (min) |
m/z Experimental |
m/z Calculated |
Error (ppm) |
Score (%) |
Molecular Formula |
m/z in Source Fragments |
Compound |
|---|---|---|---|---|---|---|---|---|
| 1 | 0.431 | 133.0131 | 133.0137 | −4.5 | 100.0 | C4H6O5 | 115.0013 | Malic acid |
| 2 | 0.476 | 191.0191 | 191.0192 | −0.5 | 100.0 | C6H8O7 | 111.0054 | Citric acid |
| 3 | 0.753 | 169.0138 | 169.0137 | 0.6 | 95.8 | C7H6O5 | 125.0222 | Gallic acid |
| 4 | 1.247 | 153.0189 | 153.0188 | 0.7 | 100.0 | C7H6O4 | 108.0185 | Protocatehuic acid isomer a |
| 5 | 1.688 | 175.0599 | 175.0606 | −4.0 | 98.8 | C7H12O5 | 113.0626 | 3-Isopropylmalic acid |
| 6 | 3.32 | 289.0698 | 289.0712 | −4.8 | 96.4 | C15H14O6 | 179.0345 | Catechin |
| 7 | 3.500 | 153.0181 | 153.0188 | −4.6 | 100.0 | C7H6O4 | - | Protocatehuic acid isomer b |
| 8 | 4.009 | 705.1675 | 705.1667 | 1.1 | 95.8 | C32H34O18 | 351.0702; 191.0544; 133.0271 | Kaempferol 3-[2′′′,3′′′,5′′′-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside isomer a |
| 9 | 4.009 | 353.0864 | 353.0873 | −2.5 | 100.0 | C16H18O9 | 191.0544 | Chlorogenic acid isomer a |
| 10 | 4.301 | 353.0869 | 353.0873 | −1.1 | 100.0 | C16H18O9 | 191.0543 | Chlorogenic acid isomer b |
| 11 | 4.368 | 705.1680 | 705.1667 | 1.8 | 92.1 | C32H34O18 | - | Kaempferol 3-[2′′′,3′′′,5′′′-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside isomer b |
| 12 | 4.541 | 353.0859 | 353.0873 | −4.0 | 97.5 | C16H18O9 | 191.0538 | Chlorogenic acid isomer c |
| 13 | 4.69 | 289.0705 | 289.0712 | −2.4 | 100.0 | C15H14O6 | 245.0794 | Epicatechin |
| 14 | 4.952 | 337.0909 | 337.0923 | −4.1 | 100.0 | C16H18O8 | 173.0441 | Coumaroylquinic acid isomer a |
| 15 | 5.155 | 337.0914 | 337.0923 | −2.7 | 100.0 | C16H18O8 | 173.0439 | Coumaroylquinic acid isomer a |
| 16 | 5.678 | 579.1725 | 579.1714 | 1.9 | 93.1 | C27H32O14 | 245.092 | Narirutin |
| 17 | 6.465 | 337.0546 | 337.0560 | −4.2 | 99.9 | C15H14O9 | 173.0082 | Quercetin dihydrate |
| 18 | 8.449 | 371.1332 | 371.1342 | −2.7 | 99.6 | C17H24O9 | 209.0801 | Syringin isomer a |
| 19 | 8.553 | 579.1719 | 579.1714 | 0.9 | 99.6 | C27H32O14 | 271.0604; 167.0341 | Naringin |
| 20 | 8.606 | 463.0861 | 463.0877 | −3.5 | 99.7 | C21H20O12 | 300.0253; 271.0228; 167.0347 | Isoquercetin |
| 21 | 8.636 | 567.1716 | 567.1714 | 0.4 | 100.0 | C26H32O14 | 463.0866; 300.0244;273.0748; 167.0342 | Phloretin 2′-xyloglucoside |
| 22 | 8.816 | 463.0872 | 463.0877 | −1.1 | 100.0 | C21H20O12 | 300.0256; 271.0240; 255.0276 | Hyperoside |
| 23 | 8.965 | 371.1340 | 371.1342 | −0.5 | 100.0 | C17H24O9 | 209.0811 | Syringin isomer b |
| 24 | 9.137 | 435.1301 | 435.1291 | 2.3 | 99.3 | C21H24O10 | 273.0757 | Phloridzin |
| 25 | 9.137 | 609.1838 | 609.1819 | 3.1 | 96.9 | C28H34O15 | 301.0711 | Hesperidin |
| 26 | 9.340 | 433.0771 | 433.0771 | 0.0 | 100.0 | C20H18O11 | 300.0262; 271.0242; 241.0136 | Quercetin 3-O-beta-D-xylopyranoside |
| 27 | 9.827 | 447.0917 | 447.0927 | −2.2 | 90.1 | C21H20O11 | 285.0382; 255.0272; 227.0331 | Kaempferol-3-glucoside |
| 28 | 10.032 | 447.0932 | 447.0927 | 1.1 | 100.0 | C21H20O11 | 300.0255; 271.0233 | Quercetin 3-rhamnoside |
| 29 | 10.111 | 461.0716 | 461.0720 | −0.9 | 100.0 | C21H18O12 | 285.0392 | Kaempferol-3-glucuronide |
| 30 | 10.942 | 489.1023 | 489.1033 | −2.0 | 99.8 | C23H22O12 | 285.0374; 255.0263; 227.0333 | Kaempferol 3-(6-acetylgalactoside) isomer a |
| 31 | 11.113 | 593.1883 | 593.1870 | 2.2 | 98.5 | C28H34O14 | 285.076 | Didymin |
| 32 | 11.226 | 693.2756 | 693.2758 | −0.3 | 99.1 | C34H46O15 | - | Nomilin glucoside |
| 33 | 11.511 | 489.1056 | 489.1033 | 4.7 | 92.8 | C23H22O12 | 285.0414; 255.0290; 227.0320 | Kaempferol 3-(6-acetylgalactoside) isomer b |
| 34 | 11.877 | 711.2866 | 711.2864 | 0.3 | 100.0 | C34H48O16 | 607.276 | Nomilinic acid 17-beta-D-glucopyranoside |
| 35 | 12.139 | 271.0602 | 271.0606 | −1.5 | 100.0 | C15H12O5 | 151.001 | Naringenin |
| 36 | 12.640 | 345.0599 | 345.0610 | −3.2 | 99.9 | C17H14O8 | 287.0171 | Limocitrin |
| 37 | 12.648 | 301.0699 | 301.0712 | −4.3 | 100.0 | C16H14O6 | 164.0084 | Hesperetin |
| 38 | 13.240 | 385.1494 | 385.1499 | −1.3 | 100.0 | C18H26O9 | 223.096 | Methylsyringin |
| 39 | 13.712 | 529.2075 | 529.2074 | 0.2 | 100.0 | C28H34O10 | 469.186 | 7-Acetoxy-6-hydroxylimonin |
| 40 | 14.206 | 329.2328 | 329.2328 | 0.0 | 100.0 | C18H34O5 | 211.1343 | Pinellic acid |