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
EQ358558 2 57 0.2001 230 0 C3H2 C3H2 C4H3N C2HN3 C5H3N C17H11N5 38.0154 38.0154 65.0264 67.0170 77.0264  Letrozole 3902 150
EQ358558 3 55 0.1501 307 0 C3H2 CHN C3H2 C8H5N C2HN3 C17H11N5 38.0154 27.0108 38.0154 115.0422 67.0170  Letrozole 3902 150
EQ358558 4 54 0.1376 191 0 C3H2 C4H3N C2HN3 C8H5N C17H11N5 38.0154 65.0264 67.0170 115.0422  Letrozole 3902 150
EQ358558 5 52 0.2001 230 0 C2HN3 C2H2 C4H3N C6H3N C3H2 C17H11N5 67.0170 26.0154 65.0264 89.0264 38.0154  Letrozole 3902 150
EQ358558 6 51 0.1101 418 0 C2H2 CH-1N C4H4 C8H5N C2HN3 C17H11N5 26.0154 24.9952 52.0312 115.0422 67.0170  Letrozole 3902 150
EQ358558 7 51 0.1501 307 0 C3H2 CH-1N C3H4 C8H5N C2HN3 C17H11N5 38.0154 24.9952 40.0310 115.0422 67.0170  Letrozole 3902 150