Dataset

Fenofibric acid; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA033704 contains the MS2 mass spectrum of Fenofibric acid with the InChIkey MQOBSOSZFYZQOK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
SMILES c1cc(C(=O)c2ccc(cc2)OC(C(=O)O)(C)C)ccc1Cl
InChI Key MQOBSOSZFYZQOK-UHFFFAOYSA-N
Molecular Formula C17H15ClO4
Exact Mass 318.066 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-Eawag-EA033704
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MetadataPublished 2014-01-14
Related Molecule
  • 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15988368 PubChem: Thomson Pharma
    42017-89-0 ACToR
    PD001159 ProbesDrugs
    BGF9MN2HU1 FDA SRS
    591140 eMolecules
    SCHEMBL16377 SureChEMBL
    64929 PubChem
    fenofibric acid DailyMed
    CB8400259 ChemicalBook
    MTBLC83469 Metabolights
    DB13873 DrugBank
    49052 Brenda
    FENOFIBRIC ACID clinicaltrials
    TRILIPIX clinicaltrials
    FIBRICOR clinicaltrials
    ABT-335 clinicaltrials
    CHOLINE FENOFIBRATE clinicaltrials
    HY-B0760 MedChemExpress
    MCULE-1938576029 Mcule
    DTXSID8041030 EPA CompTox Dashboard
    4505 DrugCentral
    ZINC000000001984 ZINC
    J22.637H Nikkaji
    83469 ChEBI
    HMDB0252207 Human Metabolome Database
    QANHUJ CCDC
    28700 BindingDB
    TRILIPIX rxnorm
    FIBRICOR rxnorm
    FENOFIBRIC ACID DailyMed
    CHOLINE FENOFIBRATE rxnorm
    FENOFIBRIC ACID rxnorm
    F5A PDBe
    2662 Guide to Pharmacology
    CHEMBL981 ChEMBL
    The data in this table is sourced from UniChem at EBI.