Study on chemical components in Black Tartary Buckwheat based on UPLC-Q-Exactive Orbitrap MS
10.3760/cma.j.cn115398-20240911-00139
- VernacularTitle:基于UPLC-Q-Exactive Orbitrap MS表征黑苦荞化学成分研究
- Author:
Baohua MENG
1
;
Ningning SHANG
;
Wenxuan WU
;
Chunguo WANG
;
Zhang WANG
Author Information
1. 四川护理职业学院药学系，成都 610100
- Keywords:
Fagopyrum Tataricum (L.) Gaertn.;
Black Tartary Buckwheat;
Liquid chromatography-mass spectrometry;
Component identification;
Molecular network
- From:
International Journal of Traditional Chinese Medicine
2025;47(5):660-668
- CountryChina
- Language:Chinese
-
Abstract:
Objective:To analyzed the chemical components of Black Tartary Buckwheat using Ultra-performance liquid chromatography coupled with quadrupole-electrostatic field orbitrap high-resolution mass spectrometry (UPLC-Q-Exactive Orbitrap MS); To further compared the compositional differences under various drying conditions.Methods:UPLC-Q-Exactive Orbitrap MS was employed to scan 14 samples of Black Tartary Buckwheat in 4 batches, aiming to identify the major chemical components. ACQUITY UPLC HSS T3 C18 column (2.1 mm×100 mm, 1.7 μm) was adopted; mobile phase was 0.1% formic acid aqueous solution-acetonitrile solution; flow rate was 0.3 ml/min for gradient elution; HESI-Ⅱ ion source was used to detect negative ions. According to general mass spectroscopy rules and literature, at the same time, Compound Discoverer 3.2 and MSConvert software were used to analyze the data, upload to GNPS network, and finally generate network diagram using Cytocape 3.6.1 software.Results:A total of 134 components were identified in Black Tartary Buckwheat, of which 76 compounds were identified in the negative ion mode, 79 compounds were identified in the positive ion mode, and 21 chemicals were simultaneously identified as positive and negative ions. Based on the similarity cluster analysis of UPLC-Q-Exactive Orbitrap MS secondary mass spectrometry fragment patterns, a molecular network was established, and the main compounds in Black Tartary Buckwheat were flavonoids, phenolic acids and amino acids, and the results showed that the positive and negative ion modes had similar clustering results. There were certain differences in the content of flavonoids, phenolic acids, and amino acids in Black Tartary Buckwheat under two different drying conditions.Conclusion:The established UPLC-Q-Exactive Orbitrap MS method enables rapid identification of the main chemical components in Black Tartary Buckwheat, while the constructed molecular network provides a reference framework for further research on its chemical composition. Additionally, the drying conditions are found to exert certain effects on the content of these chemical components.
