Analysis of chemical constituents of fatty acids and their esters of Coicis Semen by UPLC-Triple-TOF-MS / 中草药

ABSTRACT

Objective: To establish a rapid qualitative analysis method for fatty acids and esters in Coicis Semen by ultra-performance liquid chromatography triple quadrupole time-of-flight mass spectrometry (UPLC-Triple-TOF-MS). Methods: Agilent ZORBAX-SB C18 (250 mm × 4.6 mm, 5.0 μm) column was used. The mobile phase was acetonitrile-isopropanol (11) elution, the flow rate was 1 mL/min, the detection wavelength was 210 nm, the column temperature was 30 ℃, and the injection quantity was 10 μL. Electrospray ion source positive ion mode was adopted, and the scanning range was m/z 100-1 500. The sample data were collected by full scanning mode, and the fatty acid chemical composition of Coicis Semen was quickly identified according to the information obtained by high-resolution mass spectrometry combined with secondary mass spectrometry. Results: A total of 29 kinds of fatty acids and esters in Coicis Semen were detected, and the cracking rules of the compounds were analyzed. Through the mass-to-charge ratio of molecular ion peaks and fragment ions, the Scifinder and Reaxy network databases, and the literature, these compounds were different under the action of ion source by losing the structure of oleic acid, linoleic acid, palmitic acid, oxidizing oleic acid and the like. The mass-to-charge ratio of the fragment ions, and the name and structural formula of the 29 fatty acids and their ester compounds were inferred. Conclusion: The method of qualitative analysis of the fatty acids and esters of Coicis Semen established in this study is accurate, rapid and sensitive, which provides experimental basis for improving the quality control level of Coicis Semen and further elucidating the pharmacodynamic substance basis of Coicis Semen.