Dataset

BORNYL ISOBUTYRATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006980 contains the MS mass spectrum of BORNYL ISOBUTYRATE with the InChIkey KRKIAJBQOUBNSE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3
SMILES CC(C)C(=O)OC(C1)C(C)(C2)C(C)(C)C(C2)1
InChI Key KRKIAJBQOUBNSE-UHFFFAOYSA-N
Molecular Formula C14H24O2
Exact Mass 224.178 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-JP006980
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1628256 surechembl
    91226 pubchem
    The data in this table is sourced from UniChem at EBI.