Published October 17, 2022 | Version 1
Dataset Open

Spectral Libraries for Metabolome Annotation Workflow (MAW)

Creators

  • 1. Friedrich Schiller University Jena

Description

MassBank saved at 2022-09-12 10:28:52 with release version 2022.06 as mbankNIST.rda (MsBackendMsp)
GNPS saved at 2022-09-12 13:37:42 as gnps.rda (MsBackendMsp)
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.

Files

hmdb_dframe_str.csv

Files (772.1 MB)

Name Size Download all
md5:3821c6ad4a86af1db95f793098510971
558.8 MB Download
md5:bf2dd86a051b219af874cdea10351d50
65.3 MB Download
md5:aba7137311a56c53179c17351505a2c5
124.2 MB Preview Download
md5:5f0c7500da841fd8272599df8dde4889
23.9 MB Download