Metabolomic Transformation of Conjugated Benzotriazole Phytometabolites During In-vitro Digestion

This data set contains .mzML files (acquired through high resolution mass spectrometry analysis and converted from MS .raw file to .mzML using mzmine 4.8.0) used to study metabolomic transformation of conjugated Benzotriazole phytometabolites following in-vitro digestion of Benzotriazole exposed growth of Arabidopsis thaliana, a model Brassica plant. Arabidopsis seedlings were grown hydroponically in sterile Murashige and Skoog Basal (MS) medium for 11 days in autoclaved Magenta boxes. After the initial growth period, the plants were then exposed to Benzotriazole (BT) at a concentration of 1.0 mg/L MS media to facilitate plant uptake and phytotransformation of Benzotriazole. After 5 days of growth in BT exposure, plants were harvested and simulated in-vitro digestion of the plants were performed following INFOGEST protocol consisting of oral, gastric and intestine phase for the digestion treatment (DT) plants.

本数据集包含.mzML格式文件，此类文件通过高分辨质谱分析获得，并使用mzmine 4.8.0软件将质谱原始（MS .raw）文件转换为.mzML格式，用于研究经苯并三唑（Benzotriazole, BT）暴露培养的拟南芥（Arabidopsis thaliana，一种十字花科模式植物）经体外消化后，其结合型苯并三唑植物代谢物的代谢组学转化过程。将拟南芥幼苗在经高压灭菌的玛金塔培养盒（Magenta boxes）内的无菌穆拉希吉斯科基础（Murashige and Skoog Basal, MS）培养基中水培生长11天；初始生长周期结束后，将植株置于浓度为1.0 mg/L苯并三唑的MS培养基中，以促进植物对苯并三唑的吸收及其植物转化过程；在苯并三唑暴露培养5天后，收获植株，并按照涵盖口腔、胃、肠道三个消化阶段的INFOGEST标准化体外消化方案，对植株开展模拟体外消化，得到消化处理（DT）组植株样本。