Dataset

(E)-3,7-DIMETHYL-2,6-OCTADIENENITRILE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007630 contains the MS mass spectrum of (E)-3,7-DIMETHYL-2,6-OCTADIENENITRILE with the InChIkey HLCSDJLATUNSSI-JXMROGBWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7+
SMILES N#CC([H])=C(C)CCC=C(C)C
InChI Key HLCSDJLATUNSSI-JXMROGBWSA-N
Molecular Formula C10H15N
Exact Mass 149.120 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-JP007630
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (2E)-3,7-dimethylocta-2,6-dienenitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-6692599891 Mcule
    ZINC000001701190 ZINC
    J56.063D Nikkaji
    J34.604G Nikkaji
    483989 eMolecules
    W889CV0E9F FDA SRS
    15140987 PubChem: Thomson Pharma
    DTXSID90884174 EPA CompTox Dashboard
    CB2229647 ChemicalBook
    1551246 PubChem
    SCHEMBL114124 SureChEMBL
    The data in this table is sourced from UniChem at EBI.