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
LU055106 2 69 0.0500 1159 0 CO C5H4O S CH2O2 C5H4 C12H10O4S 27.9950 80.0262 31.9720 46.0055 64.0313  4,4'-Sulfonyldiphenol 6626 90
LU055106 3 69 0.0500 1159 0 CH2O C5H4O S CO2 C5H4 C12H10O4S 30.0106 80.0262 31.9720 43.9899 64.0313  4,4'-Sulfonyldiphenol 6626 90
LU055106 4 66 0.0125 866 0 CH2O2 C5H4 COS C5H4O C12H10O4S 46.0055 64.0313 59.9670 80.0262  4,4'-Sulfonyldiphenol 6626 90
LU055106 5 63 0.0376 289 0 CO2 C5H4 CH2OS C5H4O C12H10O4S 43.9899 64.0313 61.9826 80.0262  4,4'-Sulfonyldiphenol 6626 90
LU055106 6 62 0.0376 547 0 CO C5H4O C5H4 CH2O2S C12H10O4S 27.9950 80.0262 64.0313 77.9775  4,4'-Sulfonyldiphenol 6626 90
LU055106 7 61 0.0501 662 0 S CO2 C5H4 C6H6O2 C12H10O4S 31.9720 43.9899 64.0313 110.0368  4,4'-Sulfonyldiphenol 6626 90