Table 3.
Metabolites significantly increased in the plasma and urine samples of the volunteers following the intake of Fraxinus extract and related to the family of phenolic compounds: untargeted approach.
| Exact Mass | Retention Time (min) | Error (ppm) | Score | MS/MS | Molecular Formula | Tentatively Identified Metabolite | Time-Points (h) * | p(corr) |
|---|---|---|---|---|---|---|---|---|
| Plasma | ||||||||
| 259.9985 | 8.28 | 0.02 | 98.12 | 179.0352, 135.0455, 96.9592 | C9H8O7S | Caffeic acid sulfate | 1, 2, 4, 8 | 3.85 × 10−8 |
| 274.014 | 8.58 | 1.92 | 98.53 | 193.0505 | C10H10O7S | Ferulic acid sulfate | 2, 4 | 1.70 × 10−3 |
| 204.0087 | 10.41 | 3.98 | 94.87 | 123.0449, 79.9575 | C7H8O5S | 4-hydroxybenzyl alcohol sulfate | 1 ,2, 4 | 3.50 × 10−6 |
| 274.0142 | 10.98 | 2.01 | 97.79 | 193.0505 | C10H10O7S | Ferulic acid sulfate | 1, 2 | 1.04 × 10−15 |
| 216.0087 | 12.20 | 1.55 | 98.84 | 135.0047 | C8H8O5S | 4-hydroxyphenylacetaldehyde sulfate | 2, 4 | 9.55 × 10−6 |
| 218.024 | 13.01 | 2.3 | 97.58 | 137.0606, 122.0374, 79.9574 | C8H10O5S | Tyrosol sulfate | 1, 2, 4 | 1.98 × 10−12 |
| 538.1688 | 14.64 | −0.02 | 99.04 | 493.1712, 401.8835, 361.1288, 175.0246, 153.0917, 113.0240 | C25H30O13 | Ligstroside-aglycone glucuronide | 1, 2, 4, 8 | 2.75 × 10−3 |
| Urine | ||||||||
| 232.0048 | 8.23 | −1.6 | 98.03 | 203.2221, 151.0399, 108.0213 | C8H8O6S | 3,4-dihydroxyphenylacetaldehyde (DOPAL)-sulfate * | 8, 24 | 1.25 × 10−2 |
| 368.1114 | 8.39 | −0.63 | 98.69 | 193.0505,134.0376 | C17H20O9 | Ferulic acid derivative | 8, 24 | 1.98 × 10−3 |
| 274.0152 | 10.98 | −1.71 | 97.52 | 193.0508, 149.0243, 121.0285, 93.0347, 65.0396 | C10H10O7S | Ferulic acid sulfate | 8, 24 | 2.24 × 10−3 |
| 538.1688 | 14.65 | −0.02 | 99.04 | 493.1712, 401.8835, 361.1288, 175.0246, 153.0917, 113.0240 | C25H30O13 | Ligstroside-aglycone glucuronide | 8, 24 | 1.08 × 10−2 |
* Time points in which the metabolites were detected. The time-point exhibiting maximum concentration is underlined.