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Published October 8, 2021 | Version NORMAN-SLE-S74.0.3.1

S74 | REFTPS | Transformation Products and Reactions from Literature

  • 1. LCSB, Uni Luxembourg
  • 2. Department of Food Science and Agricultural Chemistry, McGill University, Canada

Description

This is the collection associated with list S74 REFTPS Transformation Products and Reactions from Literature on the NORMAN Suspect List Exchange.

https://www.norman-network.com/nds/SLE/

This dataset is designed to provide an entry point for users to contribute transformation products and reactions documented in the literature for addition to the NORMAN SLE, SusDat and the PubChem Transformations section.

Change logs and version tracking at the ECI GitLab site.

NOTE: This deposition is work in progress ...

Change log: v0.0.2 added InChIKey file. v0.1.0 added new reactions from Anca Baesu and DTXSIDs. v0.2.0 added PFAS TPs from Parviel Chirsir. v0.2.1 more PFAS TPs from Parviel. v0.3.0 Emma added HMMM TPs; v0.3.1 updated references and added new CIDs; added new MS/MS file.

Files

S74_REFTPS_DTXSIDs.txt

Files (80.5 kB)

Name Size Download all
md5:9583f22e1530bd2b897438c1d2c5b10e
535 Bytes Preview Download
md5:54cdeffa8acfda1599e2cc0dad3b8187
1.5 kB Preview Download
md5:181e259836aba6b572130b59ca814cb9
10.9 kB Preview Download
md5:bcff9b5acef5d374d09caecdcce79521
5.8 kB Preview Download
md5:23038af1b13ece7f1e96f0220275a64e
61.7 kB Preview Download