부산대학교 도서관

The article reports an alternative approach for establishing metabolite identifications that does not rely on full, high-resolution (MS.sup.2) spectra. This binary code system involves bins, and with 20 bins this system is capable of distinguishing 96% of the compounds in the METLIN (MS.sup.2) library. Moreover, a method of acquiring (MS.sup.2) data is demonstrated in which the third quadrupole of a low-resolution triple quadrupole (QqQ) instrument cycles over 20 wide isolation windows (coinciding with the location and width of bins) for each precursor mass selected by the first quadrupole and yields diagnostic bar codes for each precursor mass that can be matched to the bar codes of metabolite standards.