Dataset

beta-Pinene; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU501701 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-AU501701
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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
    MTBLC50025 Metabolights
    50025 ChEBI
    SCHEMBL13300 SureChEMBL
    14896 PubChem
    60018986 NMRShiftDB
    PD076341 ProbesDrugs
    127-91-3 ACToR
    12002-07-2 ACToR
    211108-08-6 ACToR
    18172-67-3 ACToR
    3716369 eMolecules
    DB15574 DrugBank
    J2.017F Nikkaji
    DTXSID7027049 EPA CompTox Dashboard
    50025 Rhea
    CHEMBL501351 ChEMBL
    C09882 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.