Dataset

beta-Pinene; GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU501702 contains the MS2 mass spectrum of beta-Pinene with the InChIkey WTARULDDTDQWMU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
SMILES CC1(C2CCC(=C)C1C2)C
InChI Key WTARULDDTDQWMU-UHFFFAOYSA-N
Molecular Formula C10H16
Exact Mass 136.125 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU501702
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Author
Maintainer
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MetadataPublished 2021-04-19
Related Molecule
  • 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB15574 drugbank
    CHEMBL501351 chembl
    13300 surechembl
    14896 pubchem
    CHEBI:50025 rhea
    13237 gtopdb
    PD076341 probes_and_drugs
    Molport-004-956-468 molport
    The data in this table is sourced from UniChem at EBI.