Compound identification: a Journal of Agricultural and Food Chemistry perspective.

This perspective is designed to summarize the standards that authors of manuscripts submitted to the Journal of Agricultural and Food Chemistry are expected to follow in establishing the structures of either new or unknown compounds identified in the course of a study. It is especially important that the molecular formulas of new compounds be determined by either high-resolution mass spectrometry or combustion analysis. All relevant physical, spectroscopic, and spectrometric data should also be reported, so that other research workers have criteria for comparison with compounds that may be isolated in the future. In the case of flavor and aroma constituents, it is not sufficient to depend upon mass spectrometric identifications based solely on comparison with commercial databases. Mass spectra and retention indices on GC stationary phases of different polarities must be determined and the results compared to data for reference compounds and with commercial standards, when available. If geometric or positional isomers may be present, or for chiral compounds, the retention indices of all isomers or enantiomers must be determined. Odor properties or odor thresholds determined by GC-olfactometry may also serve as appropriate tools for compound identification. Adherence to these standards will ensure that processing of manuscripts proceeds expeditiously and that the high standards of the Journal are maintained.