Dataset

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

This MassBank record with Accession MSBNK-Waters-WA002333 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-WA002333
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Maintainer
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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
    CHEMBL16073 ChEMBL
    N4E PDBe
    8050 ChEBI
    C07591 KEGG Ligand
    PHENACETIN rxnorm
    50420191 BindingDB
    ZINC000000000602 ZINC
    PYRAZB CCDC
    PHENACETIN DailyMed
    J2.348E Nikkaji
    HMDB0256387 Human Metabolome Database
    2115 DrugCentral
    HY-B0476 MedChemExpress
    CB44796969 ChemicalBook
    7402 Guide to Pharmacology
    DTXSID1021116 EPA CompTox Dashboard
    111270 Brenda
    CB6141828 ChemicalBook
    111271 Brenda
    phenacetin DailyMed
    128794 Brenda
    12655 Brenda
    SCHEMBL20476396 SureChEMBL
    126685 Brenda
    89616 NMRShiftDB
    MCULE-2069106916 Mcule
    SCHEMBL23280 SureChEMBL
    4754 PubChem
    14748329 PubChem: Thomson Pharma
    PD001703 ProbesDrugs
    ER0CTH01H9 FDA SRS
    phenacetin Selleck
    LSM-2851 LINCS
    62-44-2 ACToR
    PA450897 PharmGKB
    phenacetin Atlas
    490668 eMolecules
    The data in this table is sourced from UniChem at EBI.