Dataset

Butethal; LC-ESI-Q; MS; NEG; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA000587 contains the MS mass spectrum of Butethal with the InChIkey STDBAQMTJLUMFW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
SMILES CCCCC(CC)(C(=O)1)C(=O)NC(=O)N1
InChI Key STDBAQMTJLUMFW-UHFFFAOYSA-N
Molecular Formula C10H16N2O3
Exact Mass 212.116 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-WA000587
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD009538 ProbesDrugs
    OHZ8QAW6YC FDA SRS
    77-28-1 ACToR
    SCHEMBL44262 SureChEMBL
    14969363 PubChem: Thomson Pharma
    6473 PubChem
    6218656 eMolecules
    ZINC000005514900 ZINC
    PA164748035 PharmGKB
    HMDB0015442 Human Metabolome Database
    MCULE-8998219052 Mcule
    CHEMBL404422 ChEMBL
    DB01353 DrugBank
    J4.556J Nikkaji
    ETBBAR CCDC
    BUTOBARBITAL rxnorm
    DTXSID70227808 EPA CompTox Dashboard
    449 DrugCentral
    134884 ChEBI
    The data in this table is sourced from UniChem at EBI.