Dataset

ISOBORNYL BUTYRATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006405 contains the MS mass spectrum of ISOBORNYL BUTYRATE with the InChIkey VIPNQHBVIDJXJE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3
SMILES CCCC(=O)OC(C1)C(C)(C2)C(C)(C)C(C2)1
InChI Key VIPNQHBVIDJXJE-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-JP006405
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MetadataPublished 2016-01-19
Related Molecule
  • (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) butanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL310464 SureChEMBL
    60031488 NMRShiftDB
    13109-70-1 ACToR
    97897 PubChem
    J3.087.869H Nikkaji
    171780 ChEBI
    HMDB0038246 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.