Dataset

methylcinnamate; LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+

This MassBank record with Accession MSBNK-KWR-KW106602 contains the MS2 mass spectrum of methylcinnamate with the InChIkey CCRCUPLGCSFEDV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
SMILES O=C(OC)C=Cc(cccc1)c1
InChI Key CCRCUPLGCSFEDV-UHFFFAOYSA-N
Molecular Formula C10H10O2
Exact Mass 162.068 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-KWR-KW106602
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MetadataPublished 2017-03-12
Related Molecule
  • methyl 3-phenylprop-2-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:6857 chebi
    CHEMBL3560502 chembl
    112062 surechembl
    7644 pubchem
    PD124135 probes_and_drugs
    ZZZNGE CCDC
    105695 brenda
    119112 brenda
    DTXSID6042151 comptox
    Molport-019-640-936 molport
    The data in this table is sourced from UniChem at EBI.