Dataset

Febarbamate; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA000553 contains the MS mass spectrum of Febarbamate with the InChIkey QHZQILHUJDRDAI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H27N3O6/c1-3-5-11-28-13-15(29-18(21)26)12-23-17(25)20(4-2,16(24)22-19(23)27)14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3,(H2,21,26)(H,22,24,27)
SMILES CCCCOCC(OC(N)=O)CN(C(=O)1)C(=O)C(CC)(c(c2)cccc2)C(=O)N1
InChI Key QHZQILHUJDRDAI-UHFFFAOYSA-N
Molecular Formula C20H27N3O6
Exact Mass 405.190 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-WA000553
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MetadataPublished 2016-01-19
Related Molecule
  • [1-butoxy-3-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)propan-2-yl] carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13303 drugbank
    CHEBI:135655 chebi
    CHEMBL2104283 chembl
    18473 surechembl
    27835181 surechembl
    25803 pubchem
    5Z48ONN38P fdasrs
    PD072288 probes_and_drugs
    HMDB0252183 hmdb
    1135 drugcentral
    The data in this table is sourced from UniChem at EBI.