S74 | REFTPS | Transformation Products and Reactions from Literature
Authors/Creators
- 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.
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. v0.4.0 new PFAS TPs plus MS/MS and NMR. v0.4.1 new CID added, plus CID 67543 updated to 14571268. v0.5.0 new 8:2 FT TPs plus annotation data; new structures. v0.5.1 added new CIDs. v0.5.2 added 2:2 to 6:2 FT TPs, updated ref for Bugsel. v0.5.3: added new CIDs. v0.6.0 added new structures
Notes
Files
S74_REFTPS_DTXSIDs.txt
Files
(210.2 kB)
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md5:0bc5b9163a997bbe25655f3e492806e4
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md5:b07320fda9735801b1b1d754924937b4
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md5:a78c3a272b97d59d7b376aafcef17dec
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md5:4e66e389658f051160104edb82a90b88
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md5:589f937e1583a9236a246e5fc4078cd4
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md5:1df42f3bc8f98350848a8f44edfa063d
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