Dataset

Phenacetin; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA002336 contains the MS mass spectrum of Phenacetin with the InChIkey CPJSUEIXXCENMM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
SMILES CCOc(c1)ccc(NC(C)=O)c1
InChI Key CPJSUEIXXCENMM-UHFFFAOYSA-N
Molecular Formula C10H13NO2
Exact Mass 179.095 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-WA002336
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MetadataPublished 2016-01-19
Related Molecule
  • N-(4-ethoxyphenyl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03783 drugbank
    CHEBI:8050 chebi
    N4E rcsb_pdb
    CHEMBL16073 chembl
    23280 surechembl
    4754 pubchem
    ER0CTH01H9 fdasrs
    7402 gtopdb
    PD001703 probes_and_drugs
    PYRAZB CCDC
    111270 brenda
    111271 brenda
    12655 brenda
    126685 brenda
    128794 brenda
    HMDB0256387 hmdb
    Molport-000-626-710 molport
    2115 drugcentral
    50420191 bindingdb
    The data in this table is sourced from UniChem at EBI.