Table 1.
Compounds identified by HPLC–ESI–TOF–MS in apple pomace without seed extracts.
| Peak | Rt (min) | Observed m/z | Calculated m/z | Error (ppm) | Score (%) | Molecular Formula | In Source m/z Fragments | Compound Name |
|---|---|---|---|---|---|---|---|---|
| 1 | 4.56 | 353.0863 | 353.0873 | −2.8 | 98.15 | C16H18O9 | 191.0532; 179.0342; 173.0427; 135.0425 | Caffeoylquinic acid |
| 2 | 4.99 | 289.0703 | 289.0712 | −3.1 | 91.47 | C15H14O6 | 245.0740; 125.0235 | Catechin |
| 3 | 5.20 | 289.0699 | 289.0712 | −4.5 | 90.97 | C15H14O6 | 125.0233 | Epicatechin |
| 4 | 5.31 | 337.0907 | 337.0923 | −4.7 | 93.86 | C16H18O8 | 173.0423; 191.0530; 235.0558 | Coumaroylquinic acid |
| 5 | 5.41 | 577.1357 | 577.1346 | 1.9 | 99.83 | C30H26O12 | 407.007; 289.0711 | Procyanidin dimer |
| 6 | 6.88 | 865.2006 | 865.1980 | 3.0 | 99.71 | C45H38O18 | 407.0749; 289.0721 | Procyanidin trimer |
| 7 | 8.72 | 273.0754 | 273.0763 | −3.3 | 97.23 | C15H14O5 | 167.0319 | Phloretin |
| 8 | 8.73 | 567.1715 | 567.1714 | 0.2 | 97.67 | C26H32O14 | 273.0730; 167.0313 | Phloretin-2′-O-xyloglucoside |
| 9 | 8.78 | 463.0868 | 463.0877 | −1.9 | 93.12 | C21H20O12 | 301.0390; 271.0211; 241.0108 | Quercetin-3-O-galactoside |
| 10 | 8.84 | 609.1438 | 609.1456 | −3.0 | 93.17 | C27H30O16 | 463.0861; 301.0303 | Rutin |
| 11 | 8.97 | 463.0857 | 463.0877 | −4.3 | 99.96 | C21H20O12 | 301.0301; 271.0202; 241.0096 | Quercetin-3-O-glucoside |
| 12 | 9.31 | 435.1276 | 435.1291 | −3.4 | 99.95 | C21H24O10 | 273.0739; 167.0320 | Phloridzin |
| 13 | 9.33 | 477.1010 | 477.1033 | −4.8 | 92.24 | C22H22O12 | 315.0110; 287.0181; 331.0412 | Isorhamnetin-3-O-glucoside |
| 14 | 9.51 | 433.075 | 433.0771 | −4.8 | 99.97 | C20H18O11 | 301.0314; 271.0214; 241.0117 | Quercetin-3-O-arabinopyranoside |
| 15 | 9.64 | 433.0754 | 433.0771 | −3.9 | 99.77 | C20H18O11 | 300.0248; 271.0206; 241.0113 | Quercetin-3-O-arabinofuranoside |
| 16 | 9.72 | 433.0759 | 433.0771 | −2.8 | 90.11 | C20H18O11 | 301.0335; 271.0222; 241.0109 | Quercetin-3-O-xylanoside |
| 17 | 10.09 | 447.0921 | 447.0927 | −1.3 | 97.64 | C21H20O11 | 301.0330; 271.0236; 255.0279 | Quercetin-3-O-rhamnoside |