The ESI(-)FT-ICR mass spectra are able to predict physicochemical parameters such as the pH and TA of CW samples from simple univariate linear calibration. The ratio of acid species (m/z 191, 193, and 195 ions) by sugar molecules (m/z 215 and 377 ions) versus pH and TA values (Fig. 4) were plotted, and the following equations 2 and 3 can be used to estimate the pH and TA values present in the CW samples, respectively: