Table 4.
m/z [M−H]−, retention times (RT) and mass deviation (mDa) of the 18 standard phenolic substances in the kernels (C), hulls (C1), and press residue (C2) of the analysed samples.
| Standards | [M−H]− | RT | Delta (mDa) | |||||
|---|---|---|---|---|---|---|---|---|
| Compound Name | m/z | standards | C | C1 | C2 | C | C1 | C2 |
| gallic acid | 169.014 | 2.16 | 2.16 | 2.11 | 2.17 | 0.1 | 0.2 | 0.1 |
| protocatechuic acid | 153.019 | 3.85 | 3.83 | 3.83 | 3.84 | 0.1 | 0.0 | −0.0 |
| hydroxyTyrosol | 153.056 | 3.91 | 4.14 | −0.0 | ||||
| 4-Hydroxybenzoic acid | 137.024 | 5.11 | 5.02 | 5.04 | 5.03 | −0.1 | −0.1 | −0.1 |
| chlorogenic acid | 353.088 | 5.16 | 5.18 | 5.19 | 5.19 | −1.5 | −1.0 | −1.5 |
| gentisic acid | 153.019 | 5.21 | 5.13 | 5.2 | 0.1 | −0.4 | ||
| caffeic acid | 179.035 | 5.83 | 5.77 | 5.83 | 5.83 | −0.2 | −0.2 | −0.2 |
| vanillic acid | 167.035 | 5.81 | 5.76 | 5.82 | 5.81 | −0.1 | −0.1 | −0.0 |
| syringic acid | 197.046 | 6.03 | 5.95 | 6.02 | 6.03 | −0.8 | −0.5 | −0.2 |
| p-coumaric acid | 163.04 | 7.02 | 6.98 | 7.01 | 7.02 | −0.1 | −0.1 | −0.1 |
| Rutin | 609.146 | 7.10 | 7.08 | 7.1 | −1.4 | −0.5 | ||
| ferulic acid | 193.051 | 7.55 | 7.51 | 7.54 | 7.56 | −0.2 | −0.3 | −0.2 |
| Trans-m-hydroxycinnamic acid | 163.04 | 7.87 | 7.92 | 7.93 | −0.2 | −0.1 | ||
| o-Coumaric acid | 163.04 | 8.69 | 8.65 | −0.2 | ||||
| salicylic acid | 137.024 | 9.07 | 9.07 | 9.12 | 9.19 | 0.1 | −0.1 | 0.0 |
| Luteolin | 285.041 | 9.99 | 9.96 | 9.99 | 10.01 | −0.5 | −0.8 | −0.9 |
| Eriodictyol | 287.056 | 10.02 | 9.95 | 9.99 | 10 | −0.5 | −0.8 | −0.7 |
| cinnamic acid | 147.045 | 10.86 | 10.81 | 10.86 | 10.88 | 0.2 | 0.2 | 0.2 |