UPLC-QTOF-MS with chemical profiling approach for rapidly evaluating chemical consistency between traditional and dispensing granule decoctions of Tao-Hong-Si-Wu decoction

BACKGROUND: In the present study, chemical consistency between traditional and dispensing granule decoctions of Tao-Hong-Si-Wu decoction was rapidly evaluated by UPLC-QTOF-MS coupled with the MarkerLynx software. Two different kinds of decoctions, namely traditional decoction: water extract of mixed six constituent herbs of Tao-Hong-Si-Wu decoction, and dispensing granules decoction: mixed water extract of each individual herbs of Tao-Hong-Si-Wu decoction, were prepared. RESULTS: Chemical difference was found between traditional and dispensing granule decoctions, and albiflorin, paeoniflorin, gallic acid, amygdalin, and hydroxysafflor yellow A were identified as the significantly changed components during decocting Tao-Hong-Si-Wu decoction. All the peaks of mass spectrum from Tao-Hong-Si-Wu decoction and each herb were extracted and integration by using QuanLynx™. And the optimized data was used for linear regression analysis. The contribution of each herb in Tao-Hong-Si-Wu decoction, and the optimal compatibility proportion of dispensing granule decoction were derived from the linear regression equation. CONCLUSIONS: The optimal dosage proportionality of Tao-Hong-Si-Wu dispensing granule decoction was obtained as 2.5:0.2:1:0.5:0.6:0.1 (DG : CX : BS : SD : TR : HH), which guided better clinic application of Tao-Hong-Si-Wu decoction as dispensing granule decoctions usage, and it also provided some experimental data to reveal the compatibility rule of the relative TCM formulae.