Dataset

Pentobarbital

This MassBank record with Accession MSBNK-Waters-WA000539 contains the MS mass spectrum of Pentobarbital with the InChIkey WEXRUCMBJFQVBZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
SMILES CCCC(C)C(CC)(C(=O)1)C(=O)N=C(O)N1
InChI Key WEXRUCMBJFQVBZ-UHFFFAOYSA-N
Molecular Formula C11H18N2O3
Exact Mass 226.132 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000539
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MetadataCreated 2024-01-11T22:30:02.339422
MetadataModified 2025-02-09T20:27:56.056541
MetadataPublished 2016-01-19
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