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
EQ363257 2 53 0.1301 154 0 CH3 C3H2N3 CO CO CH3N C7H8N4O2 15.0234 80.0248 27.9948 27.9948 29.0264  Theophyline 2153 120
EQ363257 3 49 0.1251 160 0 CH3 C2HN CHN2 CO C2H3NO C7H8N4O2 15.0234 39.0108 41.0140 27.9948 57.0212  Theophyline 2153 120
EQ363257 4 48 0.1626 70 0 C2H3NO C3H2N3 CO CH3 C7H8N4O2 57.0212 80.0248 27.9948 15.0234  Theophyline 2153 120
EQ363257 5 46 0.6875 17 0 HN3 C5H4O CNO CH3 C7H8N4O2 43.0182 80.0248 41.9978 15.0234  Theophyline 2153 120
EQ363257 6 45 0.1101 182 0 CH3 C3H2N3 CH2N CO CHO C7H8N4O2 15.0234 80.0248 28.0186 27.9948 29.0027  Theophyline 2153 120
EQ363257 7 45 0.0751 266 0 CH3 CHN2 C3HNO CO CH3N C7H8N4O2 15.0234 41.0140 67.0058 27.9948 29.0264  Theophyline 2153 120