Dataset

BETA-PINENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000246 contains the MS 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 C=C(C2)C(C1)C(C)(C)C(C2)1
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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000246
Version
Author
Maintainer
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MetadataPublished 2016-01-19
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.