Table 1.
Multiple Reaction Monitoring (MRM) parameters for phenolic compounds. MW, molecular weight; [M − H]-, negative ion mode.
| Compound Class | Phenolic Metabolite | MW (g mol−1) | [M − H]- (m/z) | MRM |
|---|---|---|---|---|
| Phenolic Acids | Ferulic Acid | 194.18 | 193.0 | 193.0 → 134.0 |
| Caffeic Acid | 180.16 | 179.1 | 179.1 → 131.1 | |
| p-Coumeric Acid | 164.05 | 163.0 | 163.0 → 119.1 | |
| Benzoic Acid Derivatives | 4-hydroxy-benzoic acid | 138.12 | 137.0 | 137.0 → 93.1 |
| 3,4-dihydroxy-benzoic acid | 154.12 | 153.0 | 153.0 → 109.1 | |
| 4-Hydroxy-3-(3,5)-dimethoxybenzoic acid | 198.17 | 197.1 | 197.1 → 182.0 | |
| Propionic Acid Derivatives | 3-hydroxyphenyl-propionic acid | 166.16 | 165.0 | 165.1 → 121.6 |
| 3-hydroxy-4-methoxyphenyl-propionic acid | 182.17 | 181.1 | 195.0 → 136.0 | |
| Phenyl Acetic Acid Derivatives | 3,4-Dihydroxyphenyl acetic acid | 168.15 | 167.0 | 167.0 → 123.1 |
| 3-Hydroxyphenyl acetic acid | 152.14 | 151.1 | 151.1 → 107.4 | |
| 4-Hydroxyphenyl acetic acid | 152.14 | 151.1 | 151.1 → 107.4 | |
| Homovanillic acid | 182.18 | 181.1 | 181.1 → 137.1 | |
| Hippuric Acid Derivatives | Hippuric acid | 179.17 | 178.0 | 178.0 → 77.0 |
| 3-Hydroxy hippuric acid | 195.17 | 194.0 | 194.0 → 2.9 |