【摘要】 目的：探究不同种质莱菔子化学成分组成及指标性成分的含量差异。方法：采用超高效液相色谱-四极杆飞行时间质谱（UPLC-Q TOF MS）技术，对来源于青萝卜、红萝卜、白萝卜3个栽培种质的莱菔子的化学成分进行分析鉴定。采用ACQUITY UPLC C₁₈色谱柱（100 mm×2.1 mm,1.7μm），以0.1%甲酸水（A）-乙腈（B）为流动相，梯度洗脱，柱温30℃，流速0.4 mL·min^-1，进样量2μL；离子化模式为ESI⁺/ESI^-，毛细管电压3.5 kV，锥孔电压40 V，离子源温度150℃，脱溶剂气流量和温度分别为800 L·h^-1和400℃，锥孔气流量20 L·h^-1，质量扫描范围m/z 50～1 000。通过主成分分析（PCA）、正交偏最小二乘-判别分析（OPLS-DA）等多元统计分析方法，按变量重要性投影（VIP）> 1.0且差异倍数≥1.5或≤0.667的原则，对不同种质莱菔子差异代谢物进行筛选。在此基础上，采用超高效液相色谱-三重四极杆质谱联用（UPLC-T Q MS）技术比较莱菔子中4个具有多种生物活性的成分含量差异。结果：从莱菔子中共鉴定出42个化学成分，分别为硫苷类及异硫氰酸酯类6个、生物碱类3个、黄酮类2个、有机酸类14个、糖类7个，以及其他类10个。在两两种质比较中，分析鉴定出19个差异性代谢物。组分定量结果显示，莱菔素和芥子碱在青莱菔子中含量最高，分别为（0.69±0.09）mg·g^-1、（7.29±0.63）mg·g^-1；芥子酸在红莱菔子中含量最高，其含量为（0.10±0.03）mg·g^-1；莱菔苷在白莱菔子中含量最高，为（5.34±0.99）mg·g^-1。结论：该研究阐明了不同种质莱菔子代谢物之间的差异，并对4个主要活性组分进行了定量分析，为莱菔子药材的种质选择及品质评价提供了科学依据。更多还原

【Abstract】 Objective: To investigate the chemical composition and content differences of marker components of Raphani Semen from different germplasm resources. Methods: Ultra-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry（UPLC-Q TOF MS） was employed to analyze and identify the chemical components of Raphani Semen from three cultivated germplasm resources of green radish, red radish, and white radish（referred to as green, red, and white Raphani Semen, respectively）. The analysis was performed using an ACQUITY UPLC C₁₈ column（100 mm×2.1 mm, 1.7 μm） with a mobile phase consisting of 0.1% formic acid in water（A） and acetonitrile（B） under gradient elution conditions. The column temperature was maintained at 30 ℃, with a flow rate of 0.4 mL · min^-1 and an injection volume of 2 μL. Ionization was carried out in both positive and negative ESI modes with a capillary voltage of 3.5 kV and a cone voltage of 40 V. The ion source temperature was set at 150 ℃, while the desolvation gas flow rate and temperature were 800 L · h^-1 and 400 ℃, respectively. The cone gas flow rate was 20 L · h^-1, and the mass scan range was m/z 50-1 000. Through multivariate statistical analysis methods such as principal component analysis（PCA） and orthogonal partial least squares-discriminant analysis（OPLS-DA）, differential metabolites in different germplasm resources of Raphani Semen were screened according to the principle of the variable importance in projection（VIP） > 1.0 and the fold change ≥ 1.5 or ≤ 0.667. Subsequently, ultra-performance liquid chromatography coupled with tandem quadrupole mass spectrometry（UPLC-T Q MS） was used to determine the content of four bioactive components in Raphani Semen. Results: A total of 42 chemical components were identified, including 6 glucosinolates and isothiocyanates, 3 alkaloids, 2 flavonoids, 14 organic acids, 7 sugars, and 10 other compounds. In the pairwise comparison of germplasm resources, 19 differential metabolites were identified. The results of component quantification showed that sulforaphene and sinapine had the highest content in green Raphani Semen, at（0.69±0.09） mg · g^-1 and（7.29±0.63） mg · g^-1, respectively. Sinapinic acid had the highest content in red Raphani Semen, with a content value of（0.10±0.03） mg · g^-1. Glucoraphenin had the highest content at（5.34±0.99） mg · g^-1 in white Raphani Semen. Conclusion: This study clarifies the differences in metabolites among Raphani Semen samples from different germplasm resources and quantifies four main active components, providing a scientific basis for the selection and quality evaluation of Raphani Semen germplasm resources.更多还原