Dataset

Cinnamoylcholine; LC-ESI-QTOF; MS2; CE:25 eV; M+

This MassBank record with Accession MSBNK-IPB_Halle-PB000349 contains the MS2 mass spectrum of Cinnamoylcholine with the InChIkey JSIOTGHMQGLKET-MDZDMXLPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H20NO2/c1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3/q+1/b10-9+
SMILES C[N+](C)(C)CCOC(=O)/C=C/C1=CC=CC=C1
InChI Key JSIOTGHMQGLKET-MDZDMXLPSA-N
Molecular Formula [C14H20NO2]+
Exact Mass 234.149 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-IPB_Halle-PB000349
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:177040 chebi
    16352992 surechembl
    21363188 pubchem
    DTXSID601359123 comptox
    234405 bindingdb
    The data in this table is sourced from UniChem at EBI.