摘要As important sources of new drugs,natural products(NPs)are conceptually biosynthesized from simple structural pioneers(i.e.building blocks).The traditional non-targeted purification strategy extensively suffers from the time-consuming and laborious bot-tlenecks.Fortunately,liquid chromatography-mass spectrometry/mass spectrometry(LC-MS/MS)-guided separations widely suc-ceed in recent decades.However,it is still challenging for LC-MS/MS to precisely capture new NPs.Efficiently extracting information from the chaotic chemical composition and confident structural annotation are two primary technical barriers for pursuing the interesting structures,particularly those exhibiting trace distri-butions and high-level structural complexity.