Dataset

Clofibrate; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00425802 contains the MS2 mass spectrum of Clofibrate with the InChIkey KNHUKKLJHYUCFP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
SMILES CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1
InChI Key KNHUKKLJHYUCFP-UHFFFAOYSA-N
Molecular Formula C12H15ClO3
Exact Mass 242.071 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00425802
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MetadataPublished 2024-06-14
Related Molecule
  • ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00636 drugbank
    CHEBI:3750 chebi
    CHEMBL565 chembl
    2356 surechembl
    2796 pubchem
    2667 gtopdb
    PD001476 probes_and_drugs
    1278 brenda
    47220 brenda
    47223 brenda
    HPN91K7FU3 fdasrs
    HMDB0014774 hmdb
    Molport-000-145-477 molport
    694 drugcentral
    50085047 bindingdb
    The data in this table is sourced from UniChem at EBI.