NORMAN Suspect List Exchange
Published September 6, 2017 | Version NORMAN-SLE-S2.0.1.4
Dataset Open

S2 | STOFFIDENT | HSWT/LfU STOFF-IDENT Database of Water-Relevant Substances

Authors/Creators

  • 1. TUM
  • 2. LfU Bayern

Contributors

  • 1. LCSB, Uni Luxembourg
  • 2. US EPA

Description

The STOFF-IDENT database enables the search for exact masses from target or unknown lists and the automatic use of a Retention Time Index. See https://water.for-ident.org/#!home (single search for free; batch search after free registration). Dataset DOI: 10.5281/zenodo.2621451

Nov 17 2019 update: added CSV for PubChem upload.
Jun 18, 2020 update: fixed synonym for CAS=1245526-82-2 after feedback from PubChem (Jeff).
Jan 18, 2022 update: added IUPAC name instead of anakinra & deleted incorrect CAS (reported by Leon)

Files

STOFF-IDENT_Cmpds_06092017.csv

Files (8.5 MB)

Name Size Download all
md5:527eedba3075b6171c38114c13cf0dc6
327.4 kB Preview Download
md5:830e850f7bbc45828b1b60edd9434530
4.6 MB Preview Download
md5:4eb63e9d2e6c3570168e38f6498e90a6
3.6 MB Download

Additional details

Related works

Is supplement to
Other: https://water.for-ident.org/#!home (URL)