Spectral Libraries for Metabolome Annotation Workflow (MAW)

MassBank saved at 2022-09-12 10:28:52 with release version 2022.06 as mbankNIST.rda (MsBackendMsp)<br> GNPS saved at 2022-09-12 13:37:42 as gnps.rda (MsBackendMsp)<br> HMDB saved with the release version 4 as hmdb.rda (MsBackendHmdb) All .rda files can be reloaded into R session using the respective Backends. These databases were created for MAW version 1. hmdb_dframe_str.csv is downloaded from HMDB Downloads for structural information on HMDB IDs present in the HMDB version 4 spectral data.MassBank数据库于2022年9月12日10:28:52完成保存，发布版本为2022.06，存储为mbankNIST.rda（采用MsBackendMsp后端）<br>全球天然产物社交分子网络数据库（GNPS）于2022年9月12日13:37:42完成保存，存储为gnps.rda（采用MsBackendMsp后端）<br>人类代谢组数据库（HMDB）以发布版本4构建，存储为hmdb.rda（采用MsBackendHmdb后端）。所有.rda格式文件均可通过对应的后端重新加载至R会话环境中。上述数据库均为MAW 1.0版本所构建。hmdb_dframe_str.csv 文件源自HMDB下载专区，用于获取HMDB版本4质谱数据中包含的HMDB标识符对应的分子结构信息。