[UPLC-Q-TOF-MS/MS-based guided isolation of phloroglucinols from Achyrocline satureioides and anti-lung cancer...

The chemical constituents of the ethyl acetate extract from Achyrocline satureioides were rapidly analyzed using ultra performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry(UPLC-Q-TOF-MS/MS) combined with the Global Natural Products Social Molecular Networking(GNPS) molecular network. The mass spectrometric characteristics of the phloroglucinol compounds were clarified. Guided by these features, systematic isolation was performed using ODS-C_(18), Sephadex LH-20, and semi-preparative high performance liquid chromatography(HPLC). The structures were elucidated using modern spectroscopic techniques such as nuclear magnetic resonance(NMR) spectroscopy and high-resolution mass spectrometry(HR-MS). A total of 38 compounds were identified from the ethyl acetate fraction by mass spectrometry, including 23 flavonoids. Additionally, 18 compounds were isolated from this fraction. Among them, compound 1 was a new unsaturated fatty acid, and compounds 2, 3, and 7-10 were phloroglucinols. Compounds 2, 3, 7, and 8 were obtained from this plant for the first time. The in vitro anti-proliferative activities of compounds 2, 3, and 7-10 against the non-small cell lung cancer cell lines A549 and H1975 were evaluated using the CCK-8 assay. Compound 8 exhibited significant anti-lung cancer activity. This integrated approach using LC-MS/MS combined with GNPS enables efficient analysis of the chemical components in the ethyl acetate fraction of A. satureioides and facilitates the guided isolation of phloroglucinol compounds, thereby enriching the understanding of its material basis.