Dataset

BORNYL PROPIONATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006909 contains the MS mass spectrum of BORNYL PROPIONATE with the InChIkey FAFMZORPAAGQFV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3
SMILES CCC(=O)OC(C1)C(C)(C2)C(C)(C)C(C2)1
InChI Key FAFMZORPAAGQFV-UHFFFAOYSA-N
Molecular Formula C13H22O2
Exact Mass 210.162 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-JP006909
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    89306 PubChem
    174071 ChEBI
    HMDB0038249 Human Metabolome Database
    J280.506E Nikkaji
    DTXSID70859764 EPA CompTox Dashboard
    78548-53-5 ACToR
    2756-56-1 ACToR
    60031497 NMRShiftDB
    20279-25-8 ACToR
    SCHEMBL309700 SureChEMBL
    The data in this table is sourced from UniChem at EBI.