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
    CHEMBL1513 ChEMBL
    DB01029 DrugBank
    C07469 KEGG Ligand
    5959 ChEBI
    589 Guide to Pharmacology
    SAM001246548 NIH Clinical Collection
    12014641 PubChem: Drugs of the Future
    1481 DrugCentral
    IRBESARTAN DailyMed
    50042235 BindingDB
    AVAPRO rxnorm
    KARVEA clinicaltrials
    IRBESARTAN clinicaltrials
    BMS-186295 clinicaltrials
    SR-47436 clinicaltrials
    AVAPRO clinicaltrials
    HY-B0202 MedChemExpress
    SR 47436 clinicaltrials
    DTXSID0023169 EPA CompTox Dashboard
    6908 Guide to Pharmacology
    J549.417F Nikkaji
    NOZWII CCDC
    IRBESARTAN rxnorm
    14758693 PubChem: Thomson Pharma
    J0E2756Z7N FDA SRS
    14905264 PubChem: Thomson Pharma
    Irbesartan(Avapro) Selleck
    138402-11-6 ACToR
    SCHEMBL4246 SureChEMBL
    LSM-3338 LINCS
    3749 PubChem
    CB04918833 ChemicalBook
    PD001208 ProbesDrugs
    901986 eMolecules
    32278040 eMolecules
    irbesartan DailyMed
    CB4454663 ChemicalBook
    HMDB0015163 Human Metabolome Database
    196827 Brenda
    PA450084 PharmGKB
    ZINC000003872931 ZINC
    MCULE-9617953373 Mcule
    The data in this table is sourced from UniChem at EBI.