Integrated data analysis making use of the total information from gas chromatography and high-resolution time-of-flight mass spectrometry to identify qualitative differences between two whisky samples.

Rationale: Analysis of complex mixtures with gas chromatography coupled with high-resolution time-of-flight mass spectrometry (GC/HRTOFMS) can produce a large amount of data. A new software program was recently reported that integrates all of the available mass spectrometric information from GC/HRTOFMS analysis into a concise report. New capabilities have now been added to the software to incorporate retention index data and to identify differences between two samples.