Dataset

BORNYL PENTANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006510 contains the MS mass spectrum of BORNYL PENTANOATE with the InChIkey ILUAVCBOWYHFAI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3
SMILES CCCCC(=O)OC(C1)C(C)(C2)C(C)(C)C(C2)1
InChI Key ILUAVCBOWYHFAI-UHFFFAOYSA-N
Molecular Formula C15H26O2
Exact Mass 238.193 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-JP006510
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) pentanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J184.197A Nikkaji
    HMDB0038247 Human Metabolome Database
    629398 eMolecules
    60145290 NMRShiftDB
    20279-31-6 ACToR
    6189-76-0 ACToR
    16740472 PubChem: Thomson Pharma
    CHEMBL2253147 ChEMBL
    SCHEMBL1171684 SureChEMBL
    110801 PubChem
    MCULE-4303008298 Mcule
    The data in this table is sourced from UniChem at EBI.