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
LU022055 2 35 0.0501 661 0 H2O C2HN C7H5NO C10H16O C19H24N2O3 18.0104 39.0109 119.0371 152.1201  Labetalol 3869 75
LU022055 3 34 0.1001 331 0 H2O CH-1N C8H7NO C10H16O C19H24N2O3 18.0104 24.9952 133.0526 152.1201  Labetalol 3869 75
LU022055 4 32 0.1504 129 0 H2O C9H6N2O C10H16O C19H24N2O3 18.0104 158.0478 152.1201  Labetalol 3869 75
LU022055 5 30 0.0801 724 0 HO C8H6N H2O CH-1N C10H16O C19H24N2O3 17.0026 116.0500 18.0104 24.9952 152.1201  Labetalol 3869 75
LU022055 6 30 0.0601 965 0 H2O C2HN C6H3 CH2NO C10H16O C19H24N2O3 18.0104 39.0109 75.0234 44.0136 152.1201  Labetalol 3869 75