This study established a spectrum–effect relationship method for screening and quantifying the analgesic and anti‐inflammatory active ingredients in Angelicae Pubescentis Radix (AP) by ultra‐high‐performance liquid chromatography–quadrupole mass spectrometry detector analysis (UPLC–QDA). First, the fingerprint of AP was established to determine the common peaks. Next, six batches of AP samples, with significant differences, were selected for evaluation of pharmacological activity. Subsequently, the spectrum–effect relationship was used to screen the active ingredients. Finally, the screened ingredients were quantified using UPLC–QDA. In total, 21 common peaks were identified and four effective compounds (bergapten, columbianetin acetate, osthole and isoimperatorin) were selected using the gray relational analysis and partial least squares regression analysis. Quantitative analysis showed that the content of the four effective compounds was the highest in a randomly selected batch, S7 (Hubei). To our knowledge, this is the first attempt that evaluated the quality and spectrum–effect relationship of AP by quantitative analysis and chemometrics. This study identified the key pharmacologically active components of AP and thereby improved the quality evaluation system of AP. This method has broad application prospects for screening effective components and will be helpful in establishing more reliable, scientific and reasonable quality standards for AP and other traditional Chinese medicines.

中文翻译：

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通过光谱效应关系和多元统计分析对当归进行定性和定量分析的策略及其镇痛和抗炎成分的检测策略

这项研究建立了一种光谱效应关系方法，用于通过超高效液相色谱-四极杆质谱检测器分析（UPLC-QDA）筛选和定量当归中的止痛和抗炎活性成分。首先，建立AP的指纹以确定共同的峰。接下来，选择六批具有显着差异的AP样品进行药理活性评估。随后，光谱效应关系用于筛选活性成分。最后，使用UPLC-QDA对筛选出的成分进行定量。总共鉴定出21个共同峰和4种有效化合物（佛手柑，乙酸钴lum素，使用灰色关联分析和偏最小二乘回归分析选择osthole和isoimperatorin）。定量分析表明，在随机选择的批次S7（湖北）中，四种有效化合物的含量最高。据我们所知，这是通过定量分析和化学计量学评估AP的质量和光谱效应关系的首次尝试。本研究确定了AP的关键药理活性成分，从而改善了AP的质量评估体系。该方法在筛选有效成分方面具有广阔的应用前景，将有助于为AP和其他中药建立更可靠，科学，合理的质量标准。定量分析表明，在随机选择的批次S7（湖北）中，四种有效化合物的含量最高。据我们所知，这是通过定量分析和化学计量学评估AP的质量和光谱效应关系的首次尝试。本研究确定了AP的关键药理活性成分，从而改善了AP的质量评估体系。该方法在筛选有效成分方面具有广阔的应用前景，将有助于为AP和其他中药建立更可靠，科学，合理的质量标准。定量分析表明，在随机选择的批次S7（湖北）中，四种有效化合物的含量最高。据我们所知，这是通过定量分析和化学计量学评估AP的质量和光谱效应关系的首次尝试。本研究确定了AP的关键药理活性成分，从而改善了AP的质量评估体系。该方法在筛选有效成分方面具有广阔的应用前景，将有助于为AP和其他中药建立更可靠，科学，合理的质量标准。本研究确定了AP的关键药理活性成分，从而改善了AP的质量评估体系。该方法在筛选有效成分方面具有广阔的应用前景，将有助于为AP和其他中药建立更可靠，科学，合理的质量标准。本研究确定了AP的关键药理活性成分，从而改善了AP的质量评估体系。该方法在筛选有效成分方面具有广阔的应用前景，将有助于为AP和其他中药建立更可靠，科学，合理的质量标准。