Dataset

Olmesartan; LC-ESI-QTOF; MS2; 50 V

This MassBank record with Accession MSBNK-BAFG-CSL2311092752 contains the MS2 mass spectrum of Olmesartan with the InChIkey VTRAEEWXHOVJFV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)
SMILES CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(O)=O)C(C)(C)O
InChI Key VTRAEEWXHOVJFV-UHFFFAOYSA-N
Molecular Formula C24H26N6O3
Exact Mass 446.207 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311092752
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14808386 PubChem: Thomson Pharma
    158781 PubChem
    PD000566 ProbesDrugs
    olmesartan Atlas
    8W1IQP3U10 FDA SRS
    LSM-5893 LINCS
    8730922 eMolecules
    14091175 eMolecules
    HMDB0014420 Human Metabolome Database
    CB2350011 ChemicalBook
    198849 Brenda
    SCHEMBL94037 SureChEMBL
    50241364 BindingDB
    ZOGSOD CCDC
    229743 Brenda
    229744 Brenda
    OLMESARTAN DailyMed
    OLMESARTAN rxnorm
    OLMESARTAN clinicaltrials
    HY-17004 MedChemExpress
    RNH-6270 clinicaltrials
    OLM PDBe
    MCULE-9101392328 Mcule
    DTXSID2040571 EPA CompTox Dashboard
    ZINC000000538621 ZINC
    J715.876I Nikkaji
    230262 Brenda
    144689-24-7 ACToR
    olmesartan DailyMed
    DB00275 DrugBank
    CHEMBL1516 ChEMBL
    48416 ChEBI
    SAM001246634 NIH Clinical Collection
    The data in this table is sourced from UniChem at EBI.