Dataset

OCTADECANOIC ACID HEXYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001782 contains the MS mass spectrum of OCTADECANOIC ACID HEXYL ESTER with the InChIkey SMWDEDPRQFUXNH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h3-23H2,1-2H3
SMILES CCCCCCCCCCCCCCCCCC(=O)OCCCCCC
InChI Key SMWDEDPRQFUXNH-UHFFFAOYSA-N
Molecular Formula C24H48O2
Exact Mass 368.365 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-JP001782
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MetadataPublished 2016-01-19
Related Molecule
  • hexyl octadecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL33578 SureChEMBL
    LMFA07010475 LipidMaps
    J47.364B Nikkaji
    DTXSID8063042 EPA CompTox Dashboard
    77005 PubChem
    16720524 PubChem: Thomson Pharma
    3460-37-5 ACToR
    180073 ChEBI
    The data in this table is sourced from UniChem at EBI.