Dataset

Acetaminophen; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA000482 contains the MS mass spectrum of Acetaminophen with the InChIkey RZVAJINKPMORJF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
SMILES CC(=O)Nc(c1)ccc(O)c1
InChI Key RZVAJINKPMORJF-UHFFFAOYSA-N
Molecular Formula C8H9NO2
Exact Mass 151.063 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-WA000482
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • N-(4-hydroxyphenyl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00316 drugbank
    NNS rcsb_pdb
    TYL rcsb_pdb
    CHEMBL112 chembl
    3480 surechembl
    1983 pubchem
    362O9ITL9D fdasrs
    5239 gtopdb
    PD002492 probes_and_drugs
    COTZAN CCDC
    111336 brenda
    111608 brenda
    111868 brenda
    114965 brenda
    143804 brenda
    19996 brenda
    2541 brenda
    257546 brenda
    69698 brenda
    7459 brenda
    84044 brenda
    TYL pdbe
    CHEBI:46195 chebi
    HMDB0001859 hmdb
    Molport-000-150-777 molport
    Molport-047-940-800 molport
    52 drugcentral
    26197 bindingdb
    The data in this table is sourced from UniChem at EBI.