Dataset

Benzyl methacrylate; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU505904 contains the MS2 mass spectrum of Benzyl methacrylate with the InChIkey AOJOEFVRHOZDFN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
SMILES CC(=C)C(=O)OCC1=CC=CC=C1
InChI Key AOJOEFVRHOZDFN-UHFFFAOYSA-N
Molecular Formula C11H12O2
Exact Mass 176.084 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-AU505904
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MetadataPublished 2021-04-20
Related Molecule
  • benzyl 2-methylprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    Z3248K2SSM FDA SRS
    2495-37-6 ACToR
    14940829 PubChem: Thomson Pharma
    SCHEMBL20996 SureChEMBL
    25085-83-0 ACToR
    486080 eMolecules
    CB7306028 ChemicalBook
    CB8698674 ChemicalBook
    J60.239F Nikkaji
    DTXSID0022193 EPA CompTox Dashboard
    CHEMBL3187485 ChEMBL
    ZINC000001577283 ZINC
    17236 PubChem
    20200270 NMRShiftDB
    MCULE-7867648503 Mcule
    The data in this table is sourced from UniChem at EBI.