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
EQ372202 2 98 0.1668 84 139 CH2N2 C4H8N2S C5H6N2 C10H16N6S 42.0218 116.0406 94.0530  Cimetidine 2756 30
EQ372202 3 97 0.0876 339 139 CH2N2 C2H4N2 C2H4S C5H6N2 C10H16N6S 42.0218 56.0374 60.0034 94.0530  Cimetidine 2756 30
EQ372202 4 97 0.0651 799 139 CH-1N CH2N2 C2H4N2 C2H4S C4H7N C10H16N6S 24.9952 42.0218 56.0374 60.0034 69.0578  Cimetidine 2756 30
EQ372202 5 93 0.1876 155 139 CH2N2 C2HN C2H7NS C5H6N2 C10H16N6S 42.0218 39.0108 77.0296 94.0530  Cimetidine 2756 30
EQ372202 6 93 0.1001 519 139 C2HN CH2N2 C3H5N C2H4N2 C2H4S C10H16N6S 39.0108 42.0218 55.0420 56.0374 60.0034  Cimetidine 2756 30
EQ372202 7 92 0.1751 137 139 C2HN C3H5N C4H8N2S CH2N2 C10H16N6S 39.0108 55.0420 116.0406 42.0218  Cimetidine 2756 30