Mass spectrometry in trace analysis

This report is an opinion piece arising from the response to the 1996 ASMS Fall Workshop “Limits to Confirmation, Quantitation, and Detection.” The two subjects that generated the most heated discussion at the Workshop were the criteria for qualitative confirmation of target analytes and those for defining and measuring limits of detection and of quantitation. A reportorial account of the Workshop has been published previously (Baldwin, R.; et al. J. Am. Soc. Mass Spectrom. 1997, 8, 1180–1190). The purpose of the present work is to (1) attempt to reconcile the sometimes highly divergent views expressed by some of the invited Workshop speakers and (2) provide some impetus toward a consensus approach to the dual problems of analyte identification and operational definitions of limits of detection and quantitation for application to trace analysis using chromatography with mass spectrometric detection. In view of the wide range of analytical problems dealt with by modern mass spectrometrists and the varied contexts in which these activities are undertaken (including regulatory requirements and possible legal challenges), both issues are addressed using the concept of fitness for purpose. It is proposed that an appropriate goal is not to define a set of universally applicable criteria, but rather to recommend guidelines for establishing integrated analytical methods best suited to the particular purpose and context.