Dataset

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

This MassBank record with Accession MSBNK-Waters-WA001552 contains the MS mass spectrum of Glafenine with the InChIkey GWOFUCIGLDBNKM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
SMILES OCC(O)COC(=O)c(c3)c(ccc3)Nc(c2)c(c1)c(nc2)cc(Cl)c1
InChI Key GWOFUCIGLDBNKM-UHFFFAOYSA-N
Molecular Formula C19H17ClN2O4
Exact Mass 372.088 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-WA001552
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB08963 drugbank
    CHEBI:31653 chebi
    CHEMBL146095 chembl
    24246 surechembl
    29438081 surechembl
    3474 pubchem
    46HL4I09AH fdasrs
    PD001516 probes_and_drugs
    155115 brenda
    HMDB0252734 hmdb
    DTXSID1048546 comptox
    Molport-003-666-338 molport
    1297 drugcentral
    50103508 bindingdb
    The data in this table is sourced from UniChem at EBI.