Analyte Code RRT in LC MS MS-ES or MS-MS m/z value Measured Mass Best possible molecular formulae Exact Mass PPM error
AMD14 0.69 MS-ES 231.0760 230.0760 C14H14OS 230.0765 2.17
      167.0860 167.0860 C13H11+ 167.0855 -2.99
      168.0868 167.0868 C13H11+ 167.0855 -7.78
AMD 1.00 MS-ES 296.0729 273.0831 C15H15NO2S 273.0823 -2.93
      167.0852 167.0852 C13H11+ 167.0855 1.80
      168.0843 167.0843 C13H11+ 167.0855 7.18
      157.0249 156.0249 C7H8O2S 156.0245 -2.56
      126.0143 125.0143 C2H7NO3S 125.0147 3.20
AMD1 1.49 MS-ES 259.0721 258.0721 C15H14O2S 258.0715 -2.32
      247.0719 246.0719 C14H14O2 246.0715 -1.63
      167.0850 167.0850 C13H11+ 167.0855 2.99
      168.0845 167.0845 C13H11+ 167.0855 5.98
      157.0252 156.0252 C7H8O2S 156.0245 -4.49
AMD6 2.17 MS-ES 233.0560 232.0560 C13H12O2S 232.0558 -0.86
      167.0851 167.0851 C13H11+ 167.0855 2.39
      125.0341 124.0341 C7H8S 124.0347 4.84
Table 7: Observed m/z values for the [M + H]+ ions and major fragments of AMD and its degradation products in acidic condition.