Dataset

(S)-(-)-Perillic acid; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80086 contains the MS mass spectrum of (S)-(-)-Perillic acid with the InChIkey CDSMSBUVCWHORP-MRVPVSSYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)/t8-/m1/s1
SMILES CC(=C)[C@H]1CCC(=CC1)C(=O)O
InChI Key CDSMSBUVCWHORP-MRVPVSSYSA-N
Molecular Formula C10H14O2
Exact Mass 166.099 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80086
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (4S)-4-prop-1-en-2-ylcyclohexene-1-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1256620 chembl
    19341660 surechembl
    2724160 pubchem
    PD213758 probes_and_drugs
    136321 brenda
    191377 brenda
    Molport-001-790-986 molport
    The data in this table is sourced from UniChem at EBI.