Identification of chemical compounds
Compound identification using mass spectrometry across different mass spectral protocols is difficult. it is unlikely to be successful without careful calibrations and authentic standards. Multiple biological compounds may be confused because they are isobaric, i.e. have the same formula or mass. Even more problematic are unknown artifactual or fragmentary compounds that are structurally and chemically different from their biological isobaric equivalents, but may share the same mass, or even formulae. These artifacts typically outnumber the known metabolites in metabolomics studies.