Dataset

5-ETHYL-5-ISOPROPYL-BARBITURIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003863 contains the MS mass spectrum of 5-ETHYL-5-ISOPROPYL-BARBITURIC ACID with the InChIkey HHLXJTDUHFBYAU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H14N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
SMILES CCC(C(C)C)(C(=O)1)C(=O)NC(=O)N1
InChI Key HHLXJTDUHFBYAU-UHFFFAOYSA-N
Molecular Formula C9H14N2O3
Exact Mass 198.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003863
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J4.553E Nikkaji
    FUFTAC CCDC
    IPRAL clinicaltrials
    DTXSID30226897 EPA CompTox Dashboard
    ZINC000005651592 ZINC
    6455 PubChem
    CHEMBL2110696 ChEMBL
    R87TF75S6O FDA SRS
    76-76-6 ACToR
    SCHEMBL715090 SureChEMBL
    15315529 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.