Dataset

1,4-CYCLOHEXANEDIOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008331 contains the MS mass spectrum of 1,4-CYCLOHEXANEDIOL with the InChIkey VKONPUDBRVKQLM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
SMILES OC(C1)CCC(O)C1
InChI Key VKONPUDBRVKQLM-UHFFFAOYSA-N
Molecular Formula C6H12O2
Exact Mass 116.084 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-JP008331
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • cyclohexane-1,4-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15321237 PubChem: Thomson Pharma
    556-48-9 ACToR
    6995-79-5 ACToR
    SCHEMBL28182 SureChEMBL
    495116 eMolecules
    931-71-5 ACToR
    CB1230468 ChemicalBook
    CHEMBL3948618 ChEMBL
    J6.477G Nikkaji
    NUQNES CCDC
    MCULE-1213045312 Mcule
    ZINC000000158004 ZINC
    123496 Brenda
    152424 Brenda
    29877 Brenda
    11162 PubChem
    The data in this table is sourced from UniChem at EBI.