Dataset

Acetaminophen / paracetamol; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF409103 contains the MS2 mass spectrum of Acetaminophen / paracetamol 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)NC1=CC=C(O)C=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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF409103
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
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
    HMDB0001859 hmdb
    176643 bindingdb
    176668 bindingdb
    178960 bindingdb
    179027 bindingdb
    179028 bindingdb
    392714 bindingdb
    47555 bindingdb
    47566 bindingdb
    47577 bindingdb
    47588 bindingdb
    47599 bindingdb
    47615 bindingdb
    47626 bindingdb
    47637 bindingdb
    47648 bindingdb
    47659 bindingdb
    47670 bindingdb
    47676 bindingdb
    50150959 bindingdb
    50339551 bindingdb
    50375389 bindingdb
    50376031 bindingdb
    50414159 bindingdb
    50439636 bindingdb
    50439647 bindingdb
    50439746 bindingdb
    50442754 bindingdb
    50501873 bindingdb
    50552158 bindingdb
    50607967 bindingdb
    50739347 bindingdb
    50754078 bindingdb
    50772118 bindingdb
    50775532 bindingdb
    50776628 bindingdb
    50776815 bindingdb
    50868385 bindingdb
    50868397 bindingdb
    50868407 bindingdb
    51026863 bindingdb
    51070514 bindingdb
    51186358 bindingdb
    51186364 bindingdb
    51374021 bindingdb
    51374024 bindingdb
    Molport-000-150-777 molport
    Molport-047-940-800 molport
    52 drugcentral
    The data in this table is sourced from UniChem at EBI.