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Published October 25, 2021 | Version NORMAN-SLE-S74.0.4.0

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. v0.4.0 new PFAS TPs plus MS/MS and NMR.

Files

S74_REFTPS_DTXSIDs.txt

Files (99.4 kB)

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md5:f69d422a751817fef4dd8f3b21d0bba1
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md5:41a9a6761960e9ec503a318e3ee14553
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md5:4a91bcbbfbc773ac26799d6434128793
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md5:4d16ee3a2dcdd9b156b9208a1800253e
2.8 kB Preview Download
md5:c392e72cc07663afe110de982bc71f8e
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md5:66e7e9833208942bcaedf69eac163319
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