Table 2.
Optimized LC-MS (MRM) parameters for all analytes. Compounds confirmed by comparison with authentic standards.
| Compound | Retention time (min) | Q1 (m/z) | Q3 (m/z) | DPa (V) | EPb (V) | CEPc (V) | CEd (eV) | CXPe (eV) |
|---|---|---|---|---|---|---|---|---|
| Gallic acid | 1.01 | 168.7 | 178.9 124.9 |
-35 -35 |
-3 -3 |
-12 -12 |
-36 -14 |
0 0 |
| Protocatechuic acid | 2.16 | 152.9 | 80.9 107.8 |
-55 -55 |
-1 -1 |
-10 -10 |
-26 -38 |
0 0 |
| Gentisic acid | 3.32 | 352.9 | 80 96.9 |
-70 -70 |
-4 -4 |
-16 -16 |
-110 -52 |
0 0 |
| 4-OH-benzoic acid | 4.25 | 136.8 | 92.9 | -30 | -7 | -10 | -18 | 0 |
| Vanillic acid | 5.51 | 166.8 | 107.9 123 |
-35 -35 |
-4 -4 |
-12 -12 |
-18 -12 |
0 0 |
| Caffeic acid | 5.69 | 178.7 | 88.9 134.9 |
-30 -30 |
-6.5 -6.5 |
-12 -12 |
-46 -16 |
0 0 |
| Syringic acid | 6.34 | 196.9 | 122.8 181.9 |
-30 -30 |
-9 -9 |
-12 -12 |
-24 -12 |
0 -2 |
| p-Coumaric acid | 6.67 | 162.8 | 93 119 |
-30 -30 |
-8 -8 |
-12 -12 |
-44 -14 |
0 0 |
| Ferulic acid | 6.83 | 192.8 | 133.9 177.9 |
-25 -25 |
-11.5 -11.5 |
-14 -14 |
-16 -12 |
0 -2 |
| Salicylic acid | 6.86 | 136.9 | 75 93 |
-35 -35 |
-4 -4 |
-10 -10 |
-48 -16 |
0 -2 |
| Veratric acid | 6.88 | 180.7 | 121.9 136.9 |
-35 -35 |
-6 -6 |
-14 -14 |
-18 -12 |
0 0 |
| Sinapic acid | 6.88 | 222.8 | 121 148.9 |
-35 -35 |
-8.5 -8.5 |
-10 -10 |
-36 -20 |
0 0 |
| m-Coumaric acid | 6.89 | 162.8 | 91 119 |
-35 -35 |
-4.5 -4.5 |
-12 -12 |
-36 -14 |
0 0 |
| Rosmarinic acid | 7.01 | 358.7 | 132.6 160.8 |
-50 -50 |
-5 -5 |
-26 -26 |
-44 -20 |
0 -2 |
aDP: declustering potential; bEP: entrance potential; cCEP: cell entrance potential; dCE: collision energy; eCXP: collision cell exit potential.