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
LU112106 2 59 0.1801 39 0 H3N CH-1N C3H3N CHNS C3H9N3O2S2 C8H15N7O2S3 17.0264 24.9953 53.0264 58.9828 183.0134  Famotidine 3325 90
LU112106 3 59 0.1501 47 0 H3N CH-2S CH2N2 C3H3N C3H9N3O2S2 C8H15N7O2S3 17.0264 41.9564 42.0218 53.0264 183.0134  Famotidine 3325 90
LU112106 4 53 0.1551 148 0 H3N C3H3N CHNS C2N2S C2H8N2O2S C8H15N7O2S3 17.0264 53.0264 58.9828 83.9782 124.0306  Famotidine 3325 90
LU112106 5 51 0.1401 50 0 H3N CH-1N CH2N2 C3H2S C3H9N3O2S2 C8H15N7O2S3 17.0264 24.9953 42.0218 69.9876 183.0134  Famotidine 3325 90
LU112106 6 46 0.1501 47 0 H3N S C2N2 C3H3N C3H9N3O2S2 C8H15N7O2S3 17.0264 31.9720 52.0062 53.0264 183.0134  Famotidine 3325 90
LU112106 7 44 0.1201 58 0 H3N CH-1N CH-2S C3H6N2 C3H9N3O2S2 C8H15N7O2S3 17.0264 24.9953 41.9564 70.0531 183.0134  Famotidine 3325 90