Dataset

EICOSANOIC ACID BUTYL ESTER; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001776 contains the MS mass spectrum of EICOSANOIC ACID BUTYL ESTER with the InChIkey WZRBMKGXBAVSQL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-6-4-2/h3-23H2,1-2H3
SMILES CCCCCCCCCCCCCCCCCCCC(=O)OCCCC
InChI Key WZRBMKGXBAVSQL-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-JP001776
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • butyl icosanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    117846 PubChem
    SCHEMBL9016766 SureChEMBL
    J47.363D Nikkaji
    DTXSID3067239 EPA CompTox Dashboard
    26718-91-2 ACToR
    The data in this table is sourced from UniChem at EBI.