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
    1983 PubChem
    15321628 PubChem: Thomson Pharma
    257546 Brenda
    PD002492 ProbesDrugs
    paracetamol Atlas
    362O9ITL9D FDA SRS
    LSM-5533 LINCS
    103-90-2 ACToR
    PA448015 PharmGKB
    acetaminophen Atlas
    27677450 eMolecules
    474380 eMolecules
    69698 Brenda
    143804 Brenda
    7459 Brenda
    2541 Brenda
    111336 Brenda
    111608 Brenda
    111868 Brenda
    114965 Brenda
    SCHEMBL19474893 SureChEMBL
    HMDB0001859 Human Metabolome Database
    84044 Brenda
    acetaminophen DailyMed
    CB1413658 ChemicalBook
    ZINC000013550868 ZINC
    MTBLC46195 Metabolights
    19996 Brenda
    89614 NMRShiftDB
    SCHEMBL3480 SureChEMBL
    46195 ChEBI
    MCULE-3844920617 Mcule
    CHEMBL112 ChEMBL
    24714721 PubChem: Drugs of the Future
    TYL PDBe
    C06804 KEGG Ligand
    DB00316 DrugBank
    ACEPHEN clinicaltrials
    DAFALGAN clinicaltrials
    PARACETAMOL clinicaltrials
    OFIRMEV clinicaltrials
    EFFERALGAN clinicaltrials
    HY-66005 MedChemExpress
    DTXSID2020006 EPA CompTox Dashboard
    52 DrugCentral
    ACETAMINOPHEN DailyMed
    PERFALGAN clinicaltrials
    ACETAMINOPHEN clinicaltrials
    TYLENOL clinicaltrials
    NEOPAP clinicaltrials
    PANADOL clinicaltrials
    OFIRMEV rxnorm
    PANADOL rxnorm
    ACEPHEN rxnorm
    ACETAMINOPHEN rxnorm
    TYLENOL rxnorm
    5239 Guide to Pharmacology
    CB24796965 ChemicalBook
    26197 BindingDB
    COTZAN CCDC
    J4.025H Nikkaji
    CB61261439 ChemicalBook
    The data in this table is sourced from UniChem at EBI.