Dataset

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

This MassBank record with Accession MSBNK-BAFG-CSL2311091227 contains the MS2 mass spectrum of Bezafibrate with the InChIkey IIBYAHWJQTYFKB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O
InChI Key IIBYAHWJQTYFKB-UHFFFAOYSA-N
Molecular Formula C19H20ClNO4
Exact Mass 361.108 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311091227
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    39042 PubChem
    PD001407 ProbesDrugs
    bezafibrate Atlas
    Y9449Q51XH FDA SRS
    14926008 PubChem: Thomson Pharma
    41859-67-0 ACToR
    PA162364313 PharmGKB
    LSM-3015 LINCS
    535336 eMolecules
    HMDB0015465 Human Metabolome Database
    105590 Brenda
    ZINC000003956919 ZINC
    CB1188501 ChemicalBook
    SCHEMBL16299 SureChEMBL
    47612 ChEBI
    12015374 PubChem: Drugs of the Future
    CHEMBL264374 ChEMBL
    2668 Guide to Pharmacology
    PEM PDBe
    28701 BindingDB
    BEZAFIBRATE rxnorm
    BEZAFIBRATE clinicaltrials
    BM-15.075 clinicaltrials
    BM 15.075 clinicaltrials
    VAMBOA CCDC
    MCULE-9775992840 Mcule
    DTXSID3029869 EPA CompTox Dashboard
    362 DrugCentral
    J16.626J Nikkaji
    HY-B0637 MedChemExpress
    DB01393 DrugBank
    The data in this table is sourced from UniChem at EBI.