| Ion Species | Measured m/z [M-H]− | Molecular Formula (MFG) [M] | Difference (ppm) |
| Unknown-SE | 405.0058 | C13H14N2O9S2 | 2.4 |
| ES | 197.9858 | C7H5NO4S | 4.3 |
| Unknown-SE-ES | 207.0200 | C6H9NO5S | 0.77 |