Dataset

Propyl 4-hydroxybenzoate; GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU507405 contains the MS2 mass spectrum of Propyl 4-hydroxybenzoate with the InChIkey QELSKZZBTMNZEB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
SMILES CCCOC(=O)C1=CC=C(C=C1)O
InChI Key QELSKZZBTMNZEB-UHFFFAOYSA-N
Molecular Formula C10H12O3
Exact Mass 180.079 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-Athens_Univ-AU507405
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MetadataPublished 2021-04-20
Related Molecule
  • propyl 4-hydroxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB14177 drugbank
    CHEBI:32063 chebi
    36M rcsb_pdb
    CHEMBL194014 chembl
    977 surechembl
    7175 pubchem
    PD013668 probes_and_drugs
    DUPKAB CCDC
    127321 brenda
    198914 brenda
    54719 brenda
    62702 brenda
    Z8IX2SC1OH fdasrs
    HMDB0032574 hmdb
    Molport-003-710-105 molport
    2307 drugcentral
    70190 bindingdb
    The data in this table is sourced from UniChem at EBI.