Dataset

1,6-HEXANEDIOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009720 contains the MS mass spectrum of 1,6-HEXANEDIOL with the InChIkey XXMIOPMDWAUFGU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
SMILES OCCCCCCO
InChI Key XXMIOPMDWAUFGU-UHFFFAOYSA-N
Molecular Formula C6H14O2
Exact Mass 118.099 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-JP009720
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • hexane-1,6-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB4160863 ChemicalBook
    49110 Brenda
    29252 Brenda
    20097248 NMRShiftDB
    12374 PubChem
    SCHEMBL15343 SureChEMBL
    43078 ChEBI
    PD008131 ProbesDrugs
    ZIA319275I FDA SRS
    140434-69-1 ACToR
    15170579 PubChem: Thomson Pharma
    629-11-8 ACToR
    490866 eMolecules
    MCULE-8817570517 Mcule
    DTXSID1027265 EPA CompTox Dashboard
    ZINC000001555566 ZINC
    J6.886A Nikkaji
    FECCOF CCDC
    HEXANEDIOL rxnorm
    DB02210 DrugBank
    CHEMBL458616 ChEMBL
    HEZ PDBe
    The data in this table is sourced from UniChem at EBI.