Dataset

CYCLOHEXANECARBOXYLIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002208 contains the MS mass spectrum of CYCLOHEXANECARBOXYLIC ACID METHYL ESTER with the InChIkey ZQWPRMPSCMSAJU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
SMILES COC(=O)C(C1)CCCC1
InChI Key ZQWPRMPSCMSAJU-UHFFFAOYSA-N
Molecular Formula C8H14O2
Exact Mass 142.099 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-JP002208
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl cyclohexanecarboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:88845 chebi
    18552 surechembl
    20748 pubchem
    96144H696Q fdasrs
    PD123997 probes_and_drugs
    HMDB0031343 hmdb
    DTXSID9074303 comptox
    Molport-000-160-217 molport
    The data in this table is sourced from UniChem at EBI.