Abstract
Attenuated-total-reflectance infrared spectroscopy (ATR-IR) and near-infrared diffuse reflectance spectroscopy (NIR) in hyphenation with multivariate analysis was utilized to quantify verbenalin and verbascoside in Verbena officinalis. A new high performance liquid chromatography (HPLC) method as a reference was established and validated. For both vibrational spectroscopic methods test-set and cross validation were performed. Different data-pre-treatments like SNV, 1st and 2nd derivative were applied to remove systematic errors and were evaluated. Quality parameters obtained for the test-set validation revealed that ATR-IR (verbenalin: R2=0.94, RPD=4.23; verbascoside: R2=0.93, RPD=3.63) has advantages over NIR (verbenalin: R2=0.91, RPD=3.75; verbascoside: R2=0.80, RPD=2.35) in the given application.
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