A targeted strategy for analyzing untargeted mass spectral data to identify lanostane–type triterpene acids in Poria cocos by integrating a scientific information system and liquid chromatography–tandem mass spectrometry combined with ion mobility spectrometry

Rapid structural identification of natural compounds in the crude extract of traditional Chinese medicine by conventional liquid chromatography–mass spectrometry is complex and challenging. In particular, it is difficult to distinguish and identify structural isomers. In this work, we proposed a novel strategy that combines a typical ultrahigh–performance liquid chromatography–multidimensional mass spectrometry approach and the post–processing...