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
LU042753 2 80 0.1251 544 294 C5H5NO C6H5N CO CH-2O H2O C13H10N2O4 95.0370 91.0420 27.9948 25.9792 18.0104  Thalidomide 5426 45
LU042753 3 76 0.1251 512 294 H2O CO CO2 C5H3N C6H5N C13H10N2O4 18.0104 27.9948 43.9898 77.0264 91.0420  Thalidomide 5426 45
LU042753 4 69 0.1350 504 294 CH-2O C6H7NO C5H3N CO H2O C13H10N2O4 25.9792 109.0526 77.0264 27.9948 18.0104  Thalidomide 5426 45
LU042753 5 63 0.1251 512 294 CH-2O CO CH2O2 C4H5N C6H5N C13H10N2O4 25.9792 27.9948 46.0054 67.0420 91.0420  Thalidomide 5426 45
LU042753 6 62 0.1251 616 294 CO C5H6N CH-2O CHO C5H5NO C13H10N2O4 27.9948 80.0498 25.9792 29.0026 95.0370  Thalidomide 5426 45
LU042753 7 61 0.1251 544 294 C5H3NO C6H5N CHO CO HO C13H10N2O4 93.0214 91.0420 29.0026 27.9948 17.0028  Thalidomide 5426 45