Dataset

Pimaric acid; LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00270 contains the MS2 mass spectrum of Pimaric acid with the InChIkey MHVJRKBZMUDEEV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)
SMILES CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C
InChI Key MHVJRKBZMUDEEV-UHFFFAOYSA-N
Molecular Formula C20H30O2
Exact Mass 302.225 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-BML00270
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Author
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MetadataPublished 2016-01-19
Related Molecule
  • 7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10819486 surechembl
    10116 pubchem
    PD094778 probes_and_drugs
    DTXSID20861776 comptox
    The data in this table is sourced from UniChem at EBI.