Chemistry Dashboard Data: Massbank Fragment File

A new “Tandem Mass Spectrometry Fragment Summary File” has been added to the downloads page for our mass spectrometry users. This file contains DTXSIDs, structural and neutral mass information from the CompTox Chemistry Dashboard mapped to precursor and MS/MS fragment summaries from mass spectral records submitted to European MassBank (MassBank.EU) and contained within the MASSBANKREF and MASSBANKEUSP lists. For more details download the ZIP file and examine the README file.

一款新的“串联质谱法片段总结文件”已添加至我们的下载页面，以供质谱分析用户使用。该文件包含了来自CompTox化学仪表板的结构和电中性质量信息以及DTXSIDs，这些信息与提交至欧洲MassBank（MassBank.EU）并包含于MASSBANKREF和MASSBANKEUSP列表中的质谱记录的前体和MS/MS片段总结相对应。欲获取更多详细信息，请下载ZIP文件并查阅README文件。