Table 5.
Retention times, MW, and MS and MS2 fragmentation ions of 9 phenolic and 3 flavonoid compounds analyzed.
| Compounds | RT (min) | MW | [M−H]− (m/z) | MS2 Fragment Ions (m/z) | ||
|---|---|---|---|---|---|---|
| Measured | Calculated | Error (ppm) | ||||
| Protocatechuic acid | 1.57 | 154.120 | 153.0190 | 153.0193 | −2.15 | 91.099; 108.084; 109.179 |
| p-Hydroxybenzoic acid | 2.60 | 138.121 | 137.0243 | 137.0244 | −0.59 | 65.238; 75.046; 93.220 |
| Procyanidin B1 | 2.65 | 578.520 | 579.1480 | 579.1497 | −2.87 | 289.088;407.009; 425.148 |
| Catechin | 3.20 | 290.268 | 291.0862 | 291.0863 | −0.56 | 203.256; 245.129 |
| Vanillic acid | 3.38 | 168.147 | 167.0346 | 167.0350 | −2.31 | 91.078; 108.118; 123.106; 152.027 |
| p-Hydroxybenzaldehyde | 3.76 | 122.121 | 121.0291 | 121.0295 | −3.51 | 92.224; 120.306 |
| Syringic acid | 4.07 | 198.173 | 197.0447 | 197.0455 | −3.94 | 95.222; 123.166; 167.117; 182.117 |
| Vanillin | 5.02 | 152.147 | 151.0398 | 151.0401 | −1.83 | 51.600; 92.239; 107.962; 136.138 |
| p-Coumaric acid | 5.82 | 164.158 | 163.0397 | 163.0401 | −2.39 | 93.221; 117.187; 119.119 |
| Ferulic acid | 6.68 | 194.184 | 193.0503 | 193.0506 | −2.05 | 133.097;134.166; 167.117; 182.117 |
| Sinapic acid | 6.84 | 224.210 | 223.0603 | 223.0612 | −4.08 | 149.105;164.141; 193.081; 208.100 |
| Quercetin | 8.18 | 302.236 | 303.0494 | 303.0499 | −1.61 | 107.184;121.176; 151.074; 179.060 |
RT: Retention time; MW: molecular weight; MS: mass.