Messar: Automated Recommendation Of Metabolite Substructures From Tandem Mass Spectra

Data set associated with: Mrzic, A. et al. MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra. bioRxiv (2017). doi:10.1101/134189 This data set is provided by Janssen Pharmaceutica. It consists of known standard pharmaceutical compounds for which high quality Q-Exactive MS/MS data is provided. The data set contain drugs ranging from antifungal and antipsychotic agents to inhibitors of the hepatitis C virus and a compound that slows down progression of Alzheimer's disease.本数据集关联的文献为：Mrzic, A. 等人的《MESSAR：从串联质谱自动推荐代谢物子结构》，发表于bioRxiv（2017年），DOI:10.1101/134189。 该数据集由杨森制药（Janssen Pharmaceutica）提供，包含多类已知标准药用化合物，配套有高质量Q-Exactive串联质谱（MS/MS）数据。本数据集涵盖的药物范围广泛，包括抗真菌剂、抗精神病药物、丙型肝炎病毒抑制剂，以及一种可延缓阿尔茨海默病进程的化合物。