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
EQ369504 2 64 0.0851 329 0 CHN C3H4N CO NO CH3NO2 C6H8N4O4 27.0108 54.0344 27.9950 29.9980 61.0162  Ronidazole 5094 60
EQ369504 3 61 0.1063 188 0 CHN C3H4N CNO2 CH3NO2 C6H8N4O4 27.0108 54.0344 57.9930 61.0162  Ronidazole 5094 60
EQ369504 4 61 0.0563 284 0 NO C3H4N C2HNO CH3NO2 C6H8N4O4 29.9980 54.0344 55.0058 61.0162  Ronidazole 5094 60
EQ369504 5 61 0.0813 246 0 NO2 C2HN C3H4N CH3NO2 C6H8N4O4 45.9930 39.0109 54.0344 61.0162  Ronidazole 5094 60
EQ369504 6 57 0.0918 120 0 C3H4N C2HN2O2 CH3NO2 C6H8N4O4 54.0344 85.0039 61.0162  Ronidazole 5094 60
EQ369504 7 51 0.1051 333 0 CHN C2H2 CH2N CNO2 CH3NO2 C6H8N4O4 27.0108 26.0156 28.0187 57.9930 61.0162  Ronidazole 5094 60