Dataset

Fenofibrate; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA001557 contains the MS 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)Oc(c2)ccc(c2)C(=O)c(c1)ccc(Cl)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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001557
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    247007 bindingdb
    247010 bindingdb
    247013 bindingdb
    294321 bindingdb
    294333 bindingdb
    377195 bindingdb
    50151278 bindingdb
    50151286 bindingdb
    50151289 bindingdb
    50151290 bindingdb
    50153976 bindingdb
    50154007 bindingdb
    50221498 bindingdb
    50221512 bindingdb
    50239982 bindingdb
    50240002 bindingdb
    50240003 bindingdb
    50277291 bindingdb
    50277330 bindingdb
    50507766 bindingdb
    50507801 bindingdb
    50511012 bindingdb
    50511013 bindingdb
    50511014 bindingdb
    50511015 bindingdb
    50511016 bindingdb
    50511017 bindingdb
    50511018 bindingdb
    50511019 bindingdb
    50511020 bindingdb
    50511021 bindingdb
    50511022 bindingdb
    50511023 bindingdb
    50511024 bindingdb
    50511025 bindingdb
    50511026 bindingdb
    50532708 bindingdb
    50739202 bindingdb
    50739716 bindingdb
    50774583 bindingdb
    50775007 bindingdb
    50777230 bindingdb
    50777321 bindingdb
    50852502 bindingdb
    50857476 bindingdb
    50874426 bindingdb
    50874453 bindingdb
    50877461 bindingdb
    50913423 bindingdb
    50913441 bindingdb
    51051327 bindingdb
    51116338 bindingdb
    51249632 bindingdb
    51249636 bindingdb
    51279088 bindingdb
    51476059 bindingdb
    51530244 bindingdb
    Molport-002-887-051 molport
    1152 drugcentral
    The data in this table is sourced from UniChem at EBI.