Dataset

2-ETHYLHEXANOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006858 contains the MS mass spectrum of 2-ETHYLHEXANOL with the InChIkey YIWUKEYIRIRTPP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
SMILES CCCCC(CC)CO
InChI Key YIWUKEYIRIRTPP-UHFFFAOYSA-N
Molecular Formula C8H18O
Exact Mass 130.136 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-JP006858
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-ethylhexan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:16011 chebi
    LMFA05000703 lipidmaps
    CHEMBL31637 chembl
    16324 surechembl
    7720 pubchem
    XZV7TAA77P fdasrs
    CACLEB CCDC
    29381 brenda
    HMDB0031231 hmdb
    Molport-001-787-201 molport
    The data in this table is sourced from UniChem at EBI.