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
LU099251 2 71 0.0438 574 999 C2H2O C3H4N2O2 C8H3NO CHNO C14H10N4O5 42.0106 100.0273 129.0214 43.0058  Dantrolene 2952 15
LU099251 3 67 0.0437 614 999 N2 C11H7NO3 C2H2O CHNO C14H10N4O5 28.0062 201.0425 42.0106 43.0058  Dantrolene 2952 15
LU099251 4 66 0.0500 206 999 CHNO C2H2O C9H6O C2HN3O2 C14H10N4O5 43.0058 42.0106 130.0418 99.0069  Dantrolene 2952 15
LU099251 5 66 0.5100 96 999 N2 C7H4N C2H2O C4H3O3 CHNO C14H10N4O5 28.0062 102.0356 42.0106 99.0069 43.0058  Dantrolene 2952 15
LU099251 6 64 0.0583 183 999 C2H2O C11H7N3O3 CHNO C14H10N4O5 42.0106 229.0487 43.0058  Dantrolene 2952 15
LU099251 7 58 0.0499 664 999 CHNO C2H2N2O C8H4O C3H3NO2 C14H10N4O5 43.0058 70.0168 116.0261 85.0164  Dantrolene 2952 15