Citrus-type crude drugs (CCDs) are commonly used to formulate decoctions in Kampo formula (traditional Japanese medicine). Our previous study reported metabolomic analyses for differentiation of the methanol extracts of Citrus-type crude drugs (CCDs) using ultra-HPLC (UHPLC)/MS, and ¹³C- and ¹H-NMR. The present study expanded the scope of its application by analyzing four CCD water extracts (Kijitsu, Tohi, Chimpi, and Kippi); these CCDs are usually used as decoction ingredients in the Kampo formula. A principal component analysis score plot of processed UPLC/MS and NMR analysis data indicated that the CCD water extracts could be classified into three groups. The loading plots showed that naringin and neohesperidin were the distinguishing components. Three primary metabolites, α-glucose, β-glucose, and sucrose were identified as distinguishing compounds by NMR spectroscopy. During the preparation of CCD dry extracts, some compounds volatilized or decomposed. Consequently, fewer compounds were detected than in our previous studies using methanol extract. However, these results suggested that the combined NMR- and LC/MS-based metabolomics can discriminate crude drugs in dried water extracts of CCDs.

柑橘类生药 (CCD) 通常用于配制汉方配方（日本传统药物）的汤剂。我们之前的研究报告了使用超高效液相色谱 (UHPLC)/MS 和¹³ C- 和¹核磁共振。本研究通过分析四种 CCD 水提取物（Kijitsu、Tohi、Chimpi 和 Kippi）扩大了其应用范围；这些 CCD 通常用作汉方配方中的煎剂成分。处理后的 UPLC/MS 和 NMR 分析数据的主成分分析得分图表明 CCD 水提取物可分为三组。加载图显示柚皮苷和新橙皮苷是区分成分。三种主要代谢物，α-葡萄糖、β-葡萄糖和蔗糖被 NMR 光谱鉴定为有区别的化合物。在制备 CCD 干提取物的过程中，一些化合物会挥发或分解。因此，与我们之前使用甲醇提取物的研究相比，检测到的化合物更少。然而，