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
LU119505 2 38 0.1378 353 34 C3H6 C3H6 C3H9N C3H6 C12H27N 42.0468 42.0468 59.0734 42.0468  Dodecylamine 13583 75
LU119505 3 30 0.1253 226 34 C3H6 C3H9N C6H12 C12H27N 42.0468 59.0734 84.0938  Dodecylamine 13583 75