Table 3.
Retention time and exact mass spectra data of apple polyphenols investigated by UHPLC-HRMS Orbitrap.
| Polyphenols | Molecular Formula | Theoretical Mass [M−H]- | Experimental Mass [M−H]- | Err [ppm] | Tr (min) |
|---|---|---|---|---|---|
| procyanidin b1 | C30H26O12 | 577.13515 | 577.1358 | 1.13 | 7.50 |
| catechin | C15H14O6 | 289.07176 | 289.07224 | 1.66 | 7.65 |
| chlorogenic acid | C16H18O9 | 353.0878 | 353.08798 | 0.51 | 8.13 |
| caffeic acid | C9H8O4 | 179.03498 | 179.03455 | −2.40 | 8.25 |
| procyanidin b2 | C30H26O12 | 577.13515 | 577.1355 | 0.61 | 8.31 |
| epicatechin | C15H14O6 | 289.07176 | 289.07196 | 0.69 | 8.51 |
| coumaroyl quinic acid | C16H18O8 | 337.09289 | 337.09338 | 1.45 | 9.39 |
| rutin | C27H30O16 | 609.14611 | 609.14624 | 0.21 | 9.78 |
| phloretin xylo-glucoside | C26H32O14 | 567.17193 | 567.17206 | 0.23 | 9.83 |
| hyperoside | C21H20O12 | 463.0882 | 463.085 | −6.91 | 9.89 |
| phloridzin | C21H24O10 | 435.12967 | 435.12961 | −0.14 | 10.11 |
| kaempferol-3-O-glucoside | C21H20O11 | 447.09328 | 447,09366 | 0.85 | 10.28 |
| apigenin-7-glucoside | C21H20O10 | 431.09837 | 431.09869 | 0.74 | 10.67 |
| phloretin | C15H14O5 | 273.07684 | 273.07755 | 2.60 | 11.21 |
| epicatechin trimer | C45H38O18 | 865.19854 | 865.19928 | 0.86 | 8.74 |
| epicatechin tetramer | C60H50O24 | 1153.26193 | 1153.26233 | 0.35 | 8.84 |
| isorhamnetin glucoside | C22H22O12 | 477.10385 | 477.1044 | 1.15 | 10.47 |
| isorhamnetin derivative | C29H34O15 | 621.14611 | 621.14667 | 0.90 | 10.74 |