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
Version
Author
Maintainer
Language
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
    13246-02-1 ACToR
    SCHEMBL18473 SureChEMBL
    PD072288 ProbesDrugs
    14830768 PubChem: Thomson Pharma
    25803 PubChem
    5Z48ONN38P FDA SRS
    FEBARBAMATE rxnorm
    HMDB0252183 Human Metabolome Database
    J8.096I Nikkaji
    DB13303 DrugBank
    CHEMBL2104283 ChEMBL
    135655 ChEBI
    1135 DrugCentral
    The data in this table is sourced from UniChem at EBI.