| Compound | TE au | Ip eV | Ea eV |
| Adenine | −467.17488 | 6.4061 | +1.2672 |
| Guanine | −542.37704 | 6.1879 | +1.2828 |
| Cytosine | −394.82291 | 6.5819 | +1.4768 |
| Uracil | −414.70313 | 7.3316 | +1.8626 |
| S-Ibuprofen in the Stomach | −656.5408 | 6.6837 | +0.8879 |
| S-Ibuprofen in the small intestine | −655.9788 | 0.9015 | −1.4392 |