Dataset

Acamprosate

This MassBank record with Accession MSBNK-Waters-WA001361 contains the MS mass spectrum of Acamprosate with the InChIkey AFCGFAGUEYAMAO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)
SMILES CC(=O)NCCCS(O)(=O)=O
InChI Key AFCGFAGUEYAMAO-UHFFFAOYSA-N
Molecular Formula C5H11NO4S
Exact Mass 181.041 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001361
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MetadataCreated 2024-01-11T22:42:53.211018
MetadataModified 2025-02-09T20:27:16.191707
MetadataPublished 2016-01-19
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