Dataset

11-Hydroxy-Delta9-THC; LC-ESI-Q; MS; NEG; 30 V

This MassBank record with Accession MSBNK-Waters-WA000878 contains the MS mass spectrum of 11-Hydroxy-Delta9-THC with the InChIkey YCBKSSAWEUDACY-IAGOWNOFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1
SMILES CCCCCc(c3)cc(O1)c(c(O)3)C([H])(C=2)C([H])(CCC(CO)2)C(C)(C)1
InChI Key YCBKSSAWEUDACY-IAGOWNOFSA-N
Molecular Formula C21H30O3
Exact Mass 330.219 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000878
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MetadataPublished 2016-01-19
Related Molecule
  • (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-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
    77270 ChEBI
    644022 PubChem
    84909 BindingDB
    J113.237G Nikkaji
    227859 Brenda
    DTXSID50190061 EPA CompTox Dashboard
    ZINC000002008394 ZINC
    CHEMBL3229459 ChEMBL
    85262212 PubChem: Thomson Pharma
    9VY04N5SLB FDA SRS
    PD057919 ProbesDrugs
    124340321 PubChem: Thomson Pharma
    29369558 eMolecules
    MTBLC77270 Metabolights
    HMDB0062581 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.