Figure 3

Example demonstrating the filtering algorithm. Volatile data collected from the headspace of a wounded orange leaf is complex (A) and spectral deconvolution is required to resolve overlapping peaks. An overlay of 7 out of 465 measured mass elution profiles (m/z 93, 111, 114, 115, 132, 136, 150) is shown from 400-412 seconds (B). Deconvoluted mass spectra and peak metadata are fed into the algorithm. The first two filters use RI information and unique ion information. These are very effective at narrowing database match possibilities as shown for Peak #122 (C).