Figure 4.

MPSF. (A) Average spectrum from experimental data. Spectral windows used in data fitting are denoted by vertical black lines. (B) Experimental data fit with spectral standards for the initial reactants. The top traces in this panel are experimental data (gray). The bottom traces show the actual standards at the fit amplitudes (red, acetate; green, ATP; and magenta, CoA). (C) Experimental data fit with the product AMP (black). The upper part shows the experimental data (gray) and the combined fit of ATP, acetate, and CoA standards (dark green). Arrows point to the peaks that are unaccounted for when spectra of ATP, acetate, and CoA are used to fit the experimental data. The lower part shows the actual AMP standard at the fit amplitude. (D) Experimental data fit with another product AcCoA (blue). The upper part shows the experimental data (gray) and the combined fit of ATP, acetate, CoA, and AMP standards (dark green). Arrows point to the peaks that were left when spectra of ATP, acetate, AMP, and CoA were used to fit the experimental data. The lower part shows the actual AcCoA standard at the fit amplitude. (E) Experimental data (gray) fit with AcCoA, acetate, AMP, ATP, and CoA standards (dark green).