Skip to main content
ARS Home » Pacific West Area » Albany, California » Western Regional Research Center » Foodborne Toxin Detection and Prevention Research » Research » Publications at this Location » Publication #213251
Title: Compound Identification: A journal of Agricultural and Food Chemistry Perspective

Author
item MOLYNEUX, RUSSELL
item SCHIEBERLE, PETER - TECHNICAL UNIV OF MUNICH

Submitted to: Journal of Agricultural and Food Chemistry
Publication Type: Peer Reviewed Journal
Publication Acceptance Date: 4/5/2007
Publication Date: 5/10/2007
Citation: Molyneux, R.J., Schieberle, P. 2007. Compound Identification: A journal of Agricultural and Food Chemistry Perspective. Journal of Agricultural and Food Chemistry. 55(12):4625-4629.

Interpretive Summary: It is important that literature reports describe new chemical compounds in a way that allows other scientists to either repeat the work or compare them with compounds that they may also have obtained. This paper describes the standards that need to be applied for compounds with biological activity or that have flavor and aroma properties. Careful attention to these standards will prevent compounds from being incorrectly identified and facilitate the work of other scientists.

Technical Abstract: 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.