Dataset

Suberoylanilide hydroxamic acid; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01070104 contains the MS2 mass spectrum of Suberoylanilide hydroxamic acid with the InChIkey WAEXFXRVDQXREF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
SMILES C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO
InChI Key WAEXFXRVDQXREF-UHFFFAOYSA-N
Molecular Formula C14H20N2O3
Exact Mass 264.147 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01070104
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • N'-hydroxy-N-phenyloctanediamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02546 drugbank
    CHEBI:45716 chebi
    SHH rcsb_pdb
    CHEMBL98 chembl
    9018 surechembl
    5311 pubchem
    58IFB293JI fdasrs
    SHH - Ideal conformer pdbe
    6852 gtopdb
    PD001323 probes_and_drugs
    IQILAW CCDC
    151869 brenda
    1547 brenda
    206568 brenda
    217024 brenda
    237067 brenda
    273671 brenda
    41261 brenda
    7817 brenda
    HMDB0015568 hmdb
    Molport-003-850-293 molport
    4124 drugcentral
    19149 bindingdb
    The data in this table is sourced from UniChem at EBI.