Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU209407 contains the MS2 mass spectrum of Irbesartan with the InChIkey YOSHYTLCDANDAN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
SMILES CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
InChI Key YOSHYTLCDANDAN-UHFFFAOYSA-N
Molecular Formula C25H28N6O
Exact Mass 428.232 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-AU209407
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MetadataPublished 2016-02-26
Related Molecule
  • 2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01029 drugbank
    CHEBI:5959 chebi
    CHEMBL1513 chembl
    285754 surechembl
    4246 surechembl
    3749 pubchem
    J0E2756Z7N fdasrs
    589 gtopdb
    6908 gtopdb
    PD001208 probes_and_drugs
    NOZWII CCDC
    196827 brenda
    HMDB0015163 hmdb
    Molport-003-666-550 molport
    Molport-006-167-687 molport
    50042235 bindingdb
    The data in this table is sourced from UniChem at EBI.