Dataset

CIS-3-HEPTENOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006852 contains the MS mass spectrum of CIS-3-HEPTENOL with the InChIkey SDZQUCJFTUULJX-PLNGDYQASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3/b5-4-
SMILES CCCC=CCCO
InChI Key SDZQUCJFTUULJX-PLNGDYQASA-N
Molecular Formula C7H14O
Exact Mass 114.104 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-JP006852
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (Z)-hept-3-en-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB5282182 ChemicalBook
    5364517 PubChem
    16312117 PubChem: Thomson Pharma
    474242 eMolecules
    SCHEMBL1171568 SureChEMBL
    ZINC000005225091 ZINC
    DTXSID90883743 EPA CompTox Dashboard
    LB4D00V63H FDA SRS
    J126.441I Nikkaji
    The data in this table is sourced from UniChem at EBI.