biostudies-literatureUnknown14Guan R<h4>Background</h4><i>Cremastra appendiculata</i> (D. Don) Makino, known as "Shan Cigu" in China, is a valuable medicinal plant historically employed for its antibacterial and anti-inflammatory properties. However, its comprehensive metabolome remains underexplored, hindering the establishment of standardized quality control.<h4>Methods</h4>In this study, a non-targeted metabolomics approach based on the Thermo Fisher Orbitrap Exploris 120 LC-MS (Liquid Chromatography-Mass Spectrometry) platform was employed to systematically profile the metabolites of <i>C. appendiculata</i>.<h4>Results</h4>A total of 174 compounds were annotated through a dual-validation workflow integrating Compound Discoverer 3.3 and manual tandem mass spectrometry spectral verification. Orthogonal partial least squarePeerJe20592https://www.ebi.ac.uk/biostudies/studies/S-EPMC12790786biostudies-literatureNon-targeted metabolomic profiling of <i>Cremastra appendiculata</i> providing insights for phytochemical analyses.PMC12790786Shan YHan RDuong HTQHamezah HSTong XGuan RBunsupa SZhou YfalseNon-targeted metabolomic profiling of <i>Cremastra appendiculata</i> providing insights for phytochemical analyses.<h4>Background</h4><i>Cremastra appendiculata</i> (D. Don) Makino, known as "Shan Cigu" in China, is a valuable medicinal plant historically employed for its antibacterial and anti-inflammatory properties. However, its comprehensive metabolome remains underexplored, hindering the establishment of standardized quality control.<h4>Methods</h4>In this study, a non-targeted metabolomics approach based on the Thermo Fisher Orbitrap Exploris 120 LC-MS (Liquid Chromatography-Mass Spectrometry) platform was employed to systematically profile the metabolites of <i>C. appendiculata</i>.<h4>Results</h4>A total of 174 compounds were annotated through a dual-validation workflow integrating Compound Discoverer 3.3 and manual tandem mass spectrometry spectral verification. Orthogonal partial least square2026-01-01T00:00:00Z20262026-05-29T03:23:31.122Z2026-05-29T03:13:17.682ZS-EPMC127907864152757110.7717/peerj.20592