Analyte Code RRT in LC-MS MS-ES or MS-MS m/z value Measured Mass Best possible molecular formulae Exact Mass PPM error
AMD12 1.20 MS-ES 297.0492 296.0492 C15H13NaO3S 296.0483 -3.04
      167.0852 167.0852 C13H11+ 167.0855 1.80
      168.0853 167.0853 C13H11+ 167.0855 1.20
AMD8 2.47 MS-ES 275.0660 274.0660 C15H14O3S 274.0664 1.46
      167.0860 167.0860 C13H11+ 167.0855 -2.99
      125.0349 124.0349 C7H8S 124.0347 -1.61
Table 8: Observed m/z values for the [M + H]+ ions and major fragments of AMD and its degradation products in alkaline condition.