Dataset

delta9-Tetrahydrocannabinol; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU158352 contains the MS2 mass spectrum of delta9-Tetrahydrocannabinol with the InChIkey CYQFCXCEBYINGO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
SMILES CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O
InChI Key CYQFCXCEBYINGO-UHFFFAOYSA-N
Molecular Formula C21H30O2
Exact Mass 314.225 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-AU158352
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MetadataPublished 2016-02-25
Related Molecule
  • 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10017748 NMRShiftDB
    PD074974 ProbesDrugs
    2978 PubChem
    14776765 PubChem: Thomson Pharma
    SCHEMBL3686519 SureChEMBL
    J280.524C Nikkaji
    86515 BindingDB
    143723 ChEBI
    The data in this table is sourced from UniChem at EBI.