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
LU086106 2 93 0.1751 263 0 H3N CH-1N CH4S C2HN3 C6H12 C10H19N5S 17.0264 24.9952 48.0032 67.0168 84.0940  Prometryn 4929 90
LU086106 3 90 0.1751 326 0 CH-1N CH2N2 CH2N2 CH4S C6H12 C10H19N5S 24.9952 42.0216 42.0216 48.0032 84.0940  Prometryn 4929 90
LU086106 4 83 0.1751 286 0 C2H3NS H3N CH-1N CH2N2 C6H12 C10H19N5S 72.9984 17.0264 24.9952 42.0216 84.0940  Prometryn 4929 90
LU086106 5 81 0.2189 120 0 C2HN3 H3N C2H3NS C6H12 C10H19N5S 67.0168 17.0264 72.9984 84.0940  Prometryn 4929 90
LU086106 6 73 0.2189 120 0 CH2N2 CH4S C2HN3 C6H12 C10H19N5S 42.0216 48.0032 67.0168 84.0940  Prometryn 4929 90
LU086106 7 60 0.1811 136 0 CH2N2 CH-1N C2H6N2S C6H12 C10H19N5S 42.0216 24.9952 90.0250 84.0940  Prometryn 4929 90