Purpose: Currently, mass spectrometry has become an effective method for the qualitative analysis of plant-derived samples. Precursor and product ions can be obtained by tandem mass spectrometry, supplying rich information for determining the structural formulas of compounds. In this work, we review the optimization of qualitative methods using liquid chromatography-electrospray ionization-quadrupoletime of flight (LC-ESI-Q-TOF), coupled with ultraviolet and infrared spectroscopy, nuclear magnetic resonance, and mass  spectrometry. This paper provides a systemic reference for researchers engaged in the qualitative analysis of plant-derived samples using LC-ESI-Q-TOF.