Dataset

ISOBORNEOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006925 contains the MS mass spectrum of ISOBORNEOL with the InChIkey DTGKSKDOIYIVQL-OYNCUSHFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
SMILES OC(C1)C(C)(C2)C(C)(C)C(C2)1
InChI Key DTGKSKDOIYIVQL-OYNCUSHFSA-N
Molecular Formula C10H18O
Exact Mass 154.136 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-JP006925
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16056564 PubChem: Thomson Pharma
    16754548 PubChem: Thomson Pharma
    SCHEMBL2469360 SureChEMBL
    191949 ChEBI
    60019214 NMRShiftDB
    6973640 PubChem
    103957 Brenda
    DTXSID40168259 EPA CompTox Dashboard
    ZINC000000968101 ZINC
    CHEMBL4294644 ChEMBL
    J150.348K Nikkaji
    HMDB0035815 Human Metabolome Database
    8GDX32M6KF FDA SRS
    The data in this table is sourced from UniChem at EBI.