Dataset

METHYLCYCLOPENTANE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005995 contains the MS mass spectrum of METHYLCYCLOPENTANE with the InChIkey GDOPTJXRTPNYNR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
SMILES CC(C1)CCC1
InChI Key GDOPTJXRTPNYNR-UHFFFAOYSA-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-JP005995
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methylcyclopentane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:88429 chebi
    CHEMBL30940 chembl
    862 surechembl
    7296 pubchem
    5G26CC1ASK fdasrs
    MEGTAU CCDC
    HMDB0031542 hmdb
    Molport-001-785-798 molport
    The data in this table is sourced from UniChem at EBI.