Dataset

Fenofibrate; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU271003 contains the MS2 mass spectrum of Fenofibrate with the InChIkey YMTINGFKWWXKFG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
SMILES CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1
InChI Key YMTINGFKWWXKFG-UHFFFAOYSA-N
Molecular Formula C20H21ClO4
Exact Mass 360.113 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-AU271003
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01039 drugbank
    CHEBI:5001 chebi
    J3O rcsb_pdb
    CHEMBL672 chembl
    4670 surechembl
    3339 pubchem
    U202363UOS fdasrs
    7186 gtopdb
    PD001506 probes_and_drugs
    TADLIU CCDC
    132787 brenda
    6805 brenda
    HMDB0015173 hmdb
    Molport-002-887-051 molport
    1152 drugcentral
    50085042 bindingdb
    The data in this table is sourced from UniChem at EBI.