1.Identification and Attribution of Chemical Constituents in Naizilai Granules by UHPLC-Q-Orbitrap-MS
Ya-hui YAN ; Tao WU ; Ju CHEN ; Rahima ABDULA ; Lei HUANG ; Haji-akber AISA
Chinese Journal of Experimental Traditional Medical Formulae 2021;27(21):156-166
Objective:Ultra-high performance liquid chromatography-quadrupole/orbitrap high resolution mass spectrometry (UHPLC-Q-Orbitrap-MS) was used to rapidly analyze and assign the chemical constituents of Naizilai granules. Method:An ACQUITY UPLC BEH Shield RP C18 column (2.1 mm×100 mm, 1.7 µm) was selected for chromatographic analysis, the mobile phase was 0.1% formic acid aqueous solution (A) and acetonitrile (B) for gradient elution (0-3 min, 1%B; 3-16 min, 1%-11%B; 16-30 min, 11%-34%B; 30-37 min, 34%-52%B; 37-42 min, 52%-100%B; 42-44 min, 100%B), flow rate was 0.3 mL·min-1 and the column temperature was 35 ℃. Mass spectrometry data of Naizilai granules were collected in positive and negative ion modes, the chemical constituents of this preparation were speculated and identified according to the precise molecular weight, secondary fragmentation and other information, combined with reference substance and literature data. Result:A total of 175 compounds were identified and speculated, including 72 flavonoids, 77 organic acids, 15 sesquiterpenes, 6 coumarins and 5 other compounds. Among these identified chemical constituents, there were 154 from