Dataset

Candesartan; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU213751 contains the MS2 mass spectrum of Candesartan with the InChIkey HTQMVQVXFRQIKW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
SMILES CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
InChI Key HTQMVQVXFRQIKW-UHFFFAOYSA-N
Molecular Formula C24H20N6O3
Exact Mass 440.160 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU213751
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Maintainer
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MetadataPublished 2016-02-27
Related Molecule
  • 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13919 drugbank
    CHEBI:3347 chebi
    CHEMBL1016 chembl
    29508236 surechembl
    29682351 surechembl
    29687505 surechembl
    3938 surechembl
    40832 surechembl
    2541 pubchem
    S8Q36MD2XX fdasrs
    587 gtopdb
    6907 gtopdb
    PD001315 probes_and_drugs
    148967 brenda
    HMDB0014934 hmdb
    Molport-003-845-570 molport
    Molport-005-943-739 molport
    50240609 bindingdb
    The data in this table is sourced from UniChem at EBI.