Dataset

Ethyl benzoate; GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU500607 contains the MS2 mass spectrum of Ethyl benzoate with the InChIkey MTZQAGJQAFMTAQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
SMILES CCOC(=O)C1=CC=CC=C1
InChI Key MTZQAGJQAFMTAQ-UHFFFAOYSA-N
Molecular Formula C9H10O2
Exact Mass 150.068 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-AU500607
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Maintainer
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MetadataPublished 2021-04-20
Related Molecule
  • ethyl benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:156074 chebi
    CHEMBL510714 chembl
    55674 surechembl
    7165 pubchem
    J115BRJ15H fdasrs
    PD210524 probes_and_drugs
    EBOMOY CCDC
    33908 brenda
    HMDB0033967 hmdb
    Molport-001-783-862 molport
    50304448 bindingdb
    The data in this table is sourced from UniChem at EBI.