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
Version
Author
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
    DB01353 drugbank
    CHEBI:134884 chebi
    CHEMBL404422 chembl
    44262 surechembl
    6473 pubchem
    OHZ8QAW6YC fdasrs
    PD009538 probes_and_drugs
    ETBBAR CCDC
    HMDB0015442 hmdb
    DTXSID70227808 comptox
    449 drugcentral
    The data in this table is sourced from UniChem at EBI.