Identification and Attribution of Chemical Constituents in Naizilai Granules by UHPLC-Q-Orbitrap-MS / 中国实验方剂学杂志

ABSTRACT

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 <italic>Artemisia rupestris</italic>， 64 from <italic>Hyssopus cuspidatus</italic>， 33 from <italic>Cordia dichotoma</italic>， 42 from <italic>Viola tianshanica</italic>， 56 from <italic>Lactuca sativa</italic>， 65 from <italic>Mentha haplocalyx</italic>， 78 from <italic>Matricaria chamomilla</italic>， 28 from <italic>Ziziphus jujuba</italic>， 7 of which were common components of these eight herbs. Conclusion:The established analytical method can realize the rapid and accurate identification of the chemical constituents in Naizilai granules， and basically covers the main constituents of each medicinal material in the formula， so as to provide a basis for improving the quality evaluation system of the preparation and lay a foundation for elucidating the pharmacodynamic mechanism.