Dataset

CIS-3-HEXENE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012202 contains the MS mass spectrum of CIS-3-HEXENE with the InChIkey ZQDPJFUHLCOCRG-AATRIKPKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+
SMILES CCC=CCC
InChI Key ZQDPJFUHLCOCRG-AATRIKPKSA-N
Molecular Formula C6H12
Exact Mass 84.094 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-JP012202
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (E)-hex-3-ene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    509009 eMolecules
    592-47-2 ACToR
    13269-52-8 ACToR
    14747347 PubChem: Thomson Pharma
    638066 PubChem
    ZINC000001699509 ZINC
    DTXSID70891265 EPA CompTox Dashboard
    10016430 NMRShiftDB
    SCHEMBL20660 SureChEMBL
    J5.206J Nikkaji
    HOGNUP CCDC
    CB9762927 ChemicalBook
    3CO1LUX1AR FDA SRS
    J72H Nikkaji
    176801 ChEBI
    The data in this table is sourced from UniChem at EBI.