Comprehensive Qualitative Ingredient Profiling of Chinese Herbal Formula Wu-Zhu-Yu Decoction via a Mass Defect and Fragment Filtering Approach Using High Resolution Mass Spectrometry

摘要: The Wu-Zhu-Yu decoction is a traditional Chinese medicine formula for the treatment of headache. To reveal its material basis, rapid and reliable liquid chromatography-high resolution mass spectrometry method was established comprehensive profiling chemical ingredients in decoction. used on quadrupole time-of-flight spectrometer along with an advanced data processing procedure consisting accuracy screening, defect filtering fragment filtering. After eliminating interference approach, MS made more distinct accurate. With optimized conditions only 35 min LC separation single sample injection each positive or negative ion mode, total 168 compounds were characterized, including 23 evodiamine analogous alkaloids, 12 limonoids, 17 gingerols, 38 ginsenosides, 15 flavonoids, 16 organic acids, 14 5 saponins, 3 2,2-dimethylchromenes 25 other compounds. fragmentation patterns representative illustrated as well. Integrative qualitative analysis by high accomplished reported first time. study demonstrated that powerful strategy detection would be widely applicable identification complicated components from herbal prescriptions, may provide basis complex mixtures.