Dataset

UNDECYL BUTYRATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006402 contains the MS mass spectrum of UNDECYL BUTYRATE with the InChIkey DPMDQRRFSVRUMR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h3-14H2,1-2H3
SMILES CCCCCCCCCCCOC(=O)CCC
InChI Key DPMDQRRFSVRUMR-UHFFFAOYSA-N
Molecular Formula C15H30O2
Exact Mass 242.225 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-JP006402
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MetadataPublished 2016-01-19
Related Molecule
  • undecyl butanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    196019 ChEBI
    79581 PubChem
    5461-02-9 ACToR
    J183.071F Nikkaji
    ZINC000104334424 ZINC
    DTXSID00203039 EPA CompTox Dashboard
    SCHEMBL10149467 SureChEMBL
    LMFA07010423 LipidMaps
    KBA3GUX35N FDA SRS
    The data in this table is sourced from UniChem at EBI.