Dataset

ALPHA-BUTYLCINNAMALDEHYDE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008714 contains the MS mass spectrum of ALPHA-BUTYLCINNAMALDEHYDE with the InChIkey GFBCBQNBXRPRQD-JLHYYAGUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10+
SMILES CCCCC(C=O)=Cc(c1)cccc1
InChI Key GFBCBQNBXRPRQD-JLHYYAGUSA-N
Molecular Formula C13H16O
Exact Mass 188.120 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-JP008714
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (2E)-2-benzylidenehexanal
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB5471579 ChemicalBook
    46485095 PubChem: Thomson Pharma
    79UB87S3JE FDA SRS
    ZINC000004792530 ZINC
    SCHEMBL229782 SureChEMBL
    5385520 PubChem
    The data in this table is sourced from UniChem at EBI.