Anhui University of Chinese Medicine, College of Pharmacy, Hefei, 230012, Anhui, China.
Anhui Province Key Laboratory of Chinese Medicinal Formulae, Hefei, 230031, Anhui, China.
J AOAC Int. 2021 Aug 20;104(4):983-998. doi: 10.1093/jaoacint/qsab004.
HuaTanJiangQi (HTJQ) is a classical Chinese medicine compound preparation, mainly used for clinically treating and improving chronic obstructive pulmonary disease (COPD) in China.
To establish a rapid and efficient analytical method for the identification and characterization of chemical constituents in HTJQ based on ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS).
UPLC-QTOF-MS was used to rapidly separate and identify the chemical constituents of HTJQ via a gradient elution system. The accurate mass data of the protonated and deprotonated molecules and fragment ions were detected in positive and negative ion modes. Compounds of HTJQ can be identified and assigned by analyzing accurate mass measurements and ion fragmentation mechanisms and comparing them with a chemical compositions database.
A total of 61 compounds in HTJQ were separated and identified, including 14 flavonoids, 16 organic acids, four isothiocyanic acids, eight butyl phthalides, two alkaloids, 10 terpenoids, four methoxyphenols and furanocoumarins, and three other compounds. The chemical compounds of HTJQ were identified and elucidated comprehensively for the first time.
A rapid, accurate, and efficient UPLC-QTOF-MS method has been developed for the identification of chemical components and applied to simultaneously evaluate the quality and effectiveness of HTJQ.
Systematic identification of chemical constituents in HTJQ can provide a scientific and reasonable basis for the application of HTJQ in the clinical treatment of COPD.
化痰降气（HTJQ）是一种经典的中药复方制剂，主要用于中国临床治疗和改善慢性阻塞性肺疾病（COPD）。
基于超高效液相色谱-四极杆飞行时间质谱（UPLC-QTOF-MS）建立一种快速高效的分析方法，用于鉴定和表征 HTJQ 中的化学成分。
采用 UPLC-QTOF-MS 对 HTJQ 中的化学成分进行快速分离和鉴定，通过梯度洗脱系统进行分离。在正、负离子模式下分别检测质子化和去质子化分子以及碎片离子的精确质量数据。通过分析精确质量测量和离子碎片机制，并与化学成分数据库进行比较，对 HTJQ 中的化合物进行鉴定和归属。
从 HTJQ 中分离鉴定出 61 种化合物，包括 14 种黄酮类化合物、16 种有机酸、4 种异硫氰酸酯、8 种丁基苯酞、2 种生物碱、10 种萜类化合物、4 种甲氧基酚和呋喃香豆素，以及 3 种其他化合物。首次全面鉴定和阐明了 HTJQ 的化学成分。
建立了一种快速、准确、高效的 UPLC-QTOF-MS 方法，用于鉴定化学成分，并应用于同时评估 HTJQ 的质量和疗效。
系统鉴定 HTJQ 中的化学成分，为 HTJQ 在 COPD 的临床治疗中的应用提供了科学合理的依据。
