Dataset

ISOVALERIC ACID CINNAMYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005257 contains the MS mass spectrum of ISOVALERIC ACID CINNAMYL ESTER with the InChIkey FOCMOGKCPPTERB-RMKNXTFCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+
SMILES CC(C)CC(=O)OCC=Cc(c1)cccc1
InChI Key FOCMOGKCPPTERB-RMKNXTFCSA-N
Molecular Formula C14H18O2
Exact Mass 218.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005257
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MetadataPublished 2016-01-19
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.