Dataset

p-aminophenol; LC-ESI-QTOF; MS2; CE: 20.4 eV; R=30000-60000; [M+H]+

This MassBank record with Accession MSBNK-UvA_IBED-UI000901 contains the MS2 mass spectrum of p-aminophenol with the InChIkey PLIKAWJENQZMHA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
SMILES C1(=CC=C(C=C1)N)O
InChI Key PLIKAWJENQZMHA-UHFFFAOYSA-N
Molecular Formula C6H7NO
Exact Mass 109.053 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-UvA_IBED-UI000901
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MetadataPublished 2024-08-27
Related Molecule
  • 4-aminophenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C02372 KEGG Ligand
    4NL PDBe
    17602 ChEBI
    CHEMBL1142 ChEMBL
    DTXSID3024499 EPA CompTox Dashboard
    26195 BindingDB
    AMPHOL CCDC
    J3.620J Nikkaji
    4-AMINOPHENOL rxnorm
    7265 Brenda
    403 PubChem
    R7P8FRP05V FDA SRS
    PD055441 ProbesDrugs
    15119742 PubChem: Thomson Pharma
    123-30-8 ACToR
    477088 eMolecules
    12370 Brenda
    MTBLC17602 Metabolights
    ZINC000004623758 ZINC
    DB14144 DrugBank
    CB5852965 ChemicalBook
    17602 Rhea
    HMDB0001169 Human Metabolome Database
    3441 Brenda
    102025 Brenda
    94607 Brenda
    SCHEMBL3424 SureChEMBL
    MCULE-3319647085 Mcule
    10008620 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.