Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU500608 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-AU500608
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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
    CHEMBL510714 ChEMBL
    ETHYL BENZOATE rxnorm
    ZINC000000404389 ZINC
    DTXSID3038696 EPA CompTox Dashboard
    156074 ChEBI
    EBOMOY CCDC
    J3.220D Nikkaji
    156074 Rhea
    50304448 BindingDB
    MTBLC156074 Metabolights
    7165 PubChem
    J115BRJ15H FDA SRS
    15146841 PubChem: Thomson Pharma
    93-89-0 ACToR
    479687 eMolecules
    CB9318180 ChemicalBook
    HMDB0033967 Human Metabolome Database
    33908 Brenda
    MCULE-1461486723 Mcule
    SCHEMBL55674 SureChEMBL
    10008701 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.