The FT-ICR-MS data and the CRNR both suggest the FR generates a complex product suite, which is considerably more complex than what has been reported using NMR or GC-MS analysis . The correspondence between the compound structures predicted by the CRNR and the measured MS spectra can be compared using various MS data transforms. For example, Kendrick plots allow normalization using a common mass to show relationships among related series of species, and Van Krevelen diagrams plot product elemental ratios (for example H/C ratios vs. O/C ratios), and offer another way to visualize and interpret complex mass spectra . Figure shows a comparison of the CRNR and FT-ICR-MS FR data superposed and compared using Kendrick plots and Van Krevelen diagrams. While the CRNR is truncated at m/z 200, it can be seen in the Kendrick plot in Figure that the general trend in the experimental data is matched well by the model and in Figures and that the CRNR reproduces the spur of data located above the main diagonal data cluster, and in Figure that there is considerable, but imperfect, overlap between experimental and computed data. The imperfect overlap in Figure may be partially attributed to the inability of the model to take kinetics and yield into account, as well as measurement bias. In the Van Krevelen comparison, while the model has considerable overlap with the measured data, the measured data also produce unique dense patches of data points in the lower left region of the plots, as well as more diffuse patches towards the right of the modeled data, and these measured data show considerable structure. These patches may be attributable to species measured above the MW cutoff of the computational model.