Annotated compound | Mass | Retention time (min) | Beta regression coefficienta | FDR-corrected P-valueb | Direction of change with treatment | Coefficient of variation in QC samples (n = 32, %) |
---|---|---|---|---|---|---|
Caffeine | 194.0817 | 3.21 |  − 0.31 | 0.031 | ↓ | 6.27 |
Paraxanthine | 180.0656 | 2.70 |  − 0.30 | 0.031 | ↓ | 5.44 |
Theophylline | 180.065 | 2.82 |  − 0.33 | 0.029 | ↓ | 6.70 |
Isoleucine | 131.0957 | 1.44 | 0.26 | 0.043 | ↑ | 17.77 |
3-Methyl-2-oxovaleratec | 230.0637 | 2.99 | 0.42 | 0.017 | ↑ | 7.02 |
4-Methyl-2-oxovaleratec | 232.0563 | 3.16 | 0.37 | 0.029 | ↑ | 8.77 |
Indoxyl sulphate c | 131.0368 | 2.61 | 0.37 | 0.029 | ↑ | 24.14 |