Software development for mass spectrometric analysis

Software programs have been developed for online and offline analysis of mass spectral data, The programs for online analysis take advantage of instrument control languages provided with commercial instrumentation. Online analysis is important when data-dependent instrument control decisions are required or to make maximum use of sampling time, Software for a prototype explosives detector and online analysis routines for direct sampling ion-trap mass spectrometry (DSITMS) data are presented as examples, A program that Is used for quantitative offline analysis of DSITMS data from different ion-trap instruments has also been developed. This program allows rapid manipulation and quantitative analysis of mass spectra generated with the direct sampling interfaces developed at Oak Ridge National Laboratory.