MB spectrum Partition Partition Score  Mass Error Feasibilty % Precursor SF1 SF2 SF3 SF4 SF5 Whole Formula SFmass1 SFmass2 SFmass3 SFmass4 SFmass5 Compound Pubchem CID  CE
LU022005 2 56 0.1000 750 0 C6H6 CO CHNO C4H11NO C7H6 C19H24N2O3 78.0468 27.9948 43.0058 89.0842 90.0469  Labetalol 3869 75
LU022005 3 51 0.1052 618 0 CHN C6H6 CO C7H6 C4H11NO2 C19H24N2O3 27.0108 78.0468 27.9948 90.0469 105.0791  Labetalol 3869 75
LU022005 4 51 0.1000 640 0 C6H6 CHN CO2 C4H11NO C7H6 C19H24N2O3 78.0468 27.0108 43.9898 89.0842 90.0469  Labetalol 3869 75
LU022005 5 50 0.0951 684 0 H2O CH-1N CO C7H6 C10H17NO C19H24N2O3 18.0104 24.9952 27.9948 90.0469 167.1311  Labetalol 3869 75
LU022005 6 49 0.0750 866 0 C2H2 C5H4 CO CHNO C10H17NO C19H24N2O3 26.0157 64.0312 27.9948 43.0058 167.1311  Labetalol 3869 75
LU022005 7 48 0.0951 788 0 CO CHNO C5H4 C7H6 C5H13NO C19H24N2O3 27.9948 43.0058 64.0312 90.0469 103.0999  Labetalol 3869 75