Department of Pharmaceutical and Pharmacological Sciences, University of Padova, Via Marzolo 5, 35131 Padova, Italy.
Central Department of Botany, Tribhuvan University, Kirtipur 44600, Kathmandu, Nepal.
Molecules. 2020 Dec 15;25(24):5937. doi: 10.3390/molecules25245937.
Phloroglucinols are characteristic constituents of that are claimed to exert several bioactivities, such as anti-inflammatory, anti-depressant and anti-viral ones. Phloroglucinols are unstable compounds and their synthesis is challenging; thus, isolation from natural sources is still one of the main strategies for obtaining these constituents in purified form. Assessing the presence of phloroglucinols in plant materials can be of interest for compound isolation, and LC-MS approaches afford sensitivity and specificity in this regard. In this work, we combined data from quadrupole-time of flight (QTOF) and ion trap (IT) mass spectrometers in order to assess the presence of the phloroglucinols characteristic of and to elucidate their MS fragmentation pathways. The identified compounds present similar structures bearing the 1,3,5-trihydroxybenzene core with different substitutions, which, in constituents at higher MW, is linked to 3',3'-dimethyl-6'-oxo-phlorisobutyrophenone by a methylene bridge. Differences in MS spectra of the considered phloroglucinols are useful for compound identification and differentiation, and to perform dereplication studies. Overall, the proposed approach could be useful for the analysis of phloroglucinols in and other plant species.
松柏醇类化合物是 的特征成分，据称具有多种生物活性，如抗炎、抗抑郁和抗病毒活性。松柏醇类化合物是不稳定的化合物，其合成具有挑战性；因此，从天然来源中分离仍然是获得这些成分的主要策略之一。评估植物材料中松柏醇类化合物的存在对于化合物的分离具有重要意义，而 LC-MS 方法在这方面具有灵敏度和特异性。在这项工作中，我们结合了四极杆飞行时间（QTOF）和离子阱（IT）质谱仪的数据，以评估 的特征松柏醇类化合物的存在，并阐明它们的 MS 裂解途径。鉴定出的化合物具有相似的结构，具有 1,3,5-三羟基苯核和不同的取代基，在较高分子量的成分中，通过亚甲基桥与 3',3'-二甲基-6'-氧代松柏异丁基苯酮相连。所考虑的松柏醇类化合物的 MS 光谱差异可用于化合物的鉴定和区分，并进行去重复研究。总的来说，所提出的方法可用于 和其他植物物种中松柏醇类化合物的分析。
