Dataset

1-HEPTENE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012208 contains the MS mass spectrum of 1-HEPTENE with the InChIkey ZGEGCLOFRBLKSE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
SMILES CCCCCC=C
InChI Key ZGEGCLOFRBLKSE-UHFFFAOYSA-N
Molecular Formula C7H14
Exact Mass 98.110 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-JP012208
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • hept-1-ene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-5868303078 Mcule
    11610 PubChem
    SCHEMBL22178 SureChEMBL
    O748KJ11V7 FDA SRS
    164404 Brenda
    175074 Brenda
    CB7378609 ChemicalBook
    492952 eMolecules
    15170442 PubChem: Thomson Pharma
    68526-53-4 ACToR
    60019438 NMRShiftDB
    186747 ChEBI
    592-76-7 ACToR
    ZINC000001699515 ZINC
    DTXSID2060466 EPA CompTox Dashboard
    J6.763F Nikkaji
    LMFA11000319 LipidMaps
    The data in this table is sourced from UniChem at EBI.