Dataset

3,3-DIMETHYL-8,9-DINORBORNAN-2-YL ACETATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001224 contains the MS mass spectrum of 3,3-DIMETHYL-8,9-DINORBORNAN-2-YL ACETATE with the InChIkey JUWUWIGZUVEFQB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3
SMILES CC(=O)OC(C(C)(C)1)C(C)(C2)CC(C2)1
InChI Key JUWUWIGZUVEFQB-UHFFFAOYSA-N
Molecular Formula C12H20O2
Exact Mass 196.146 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-JP001224
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-7634586238 Mcule
    595969 eMolecules
    60031897 NMRShiftDB
    49713042 PubChem: Thomson Pharma
    SCHEMBL184488 SureChEMBL
    13851-11-1 ACToR
    4057-31-2 ACToR
    DTXSID2047197 EPA CompTox Dashboard
    J34.597K Nikkaji
    HMDB0302924 Human Metabolome Database
    CHEMBL3186375 ChEMBL
    172037 ChEBI
    I8JL13M20M FDA SRS
    107217 PubChem
    The data in this table is sourced from UniChem at EBI.