Dataset

OCTADECANOIC ACID BUTYL ESTER; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001774 contains the MS mass spectrum of OCTADECANOIC ACID BUTYL ESTER with the InChIkey ULBTUVJTXULMLP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
SMILES CCCCCCCCCCCCCCCCCC(=O)OCCCC
InChI Key ULBTUVJTXULMLP-UHFFFAOYSA-N
Molecular Formula C22H44O2
Exact Mass 340.334 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-JP001774
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • butyl octadecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:85983 chebi
    LMFA07010795 lipidmaps
    28437 surechembl
    31278 pubchem
    6Y0AI5605C fdasrs
    HMDB0040290 hmdb
    Molport-003-939-325 molport
    The data in this table is sourced from UniChem at EBI.