Dataset

Difebarbamate; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA000571 contains the MS mass spectrum of Difebarbamate with the InChIkey GJJRIOLBUILIGK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H42N4O9/c1-4-7-14-38-18-21(40-25(29)35)16-31-23(33)28(6-3,20-12-10-9-11-13-20)24(34)32(27(31)37)17-22(41-26(30)36)19-39-15-8-5-2/h9-13,21-22H,4-8,14-19H2,1-3H3,(H2,29,35)(H2,30,36)
SMILES O(CC(OC(N)=O)CN(C(=O)1)C(N(C(=O)C1(CC)c(c2)cccc2)CC(COCCCC)OC(N)=O)=O)CCCC
InChI Key GJJRIOLBUILIGK-UHFFFAOYSA-N
Molecular Formula C28H42N4O9
Exact Mass 578.295 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-WA000571
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MetadataPublished 2016-01-19
Related Molecule
  • [1-butoxy-3-[3-(3-butoxy-2-carbamoyloxypropyl)-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
    J9.004B Nikkaji
    DIFEBARBAMATE rxnorm
    876 DrugCentral
    135839 ChEBI
    7EE4K616KK FDA SRS
    SCHEMBL1255360 SureChEMBL
    16865690 PubChem: Thomson Pharma
    71880 PubChem
    PD072144 ProbesDrugs
    15687-09-9 ACToR
    CHEMBL2105563 ChEMBL
    The data in this table is sourced from UniChem at EBI.