Dataset

11-Nor-9-carboxy-Delta9-THC; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA000868 contains the MS mass spectrum of 11-Nor-9-carboxy-Delta9-THC with the InChIkey YOVRGSHRZRJTLZ-HZPDHXFCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
SMILES CCCCCc(c3)cc(O1)c(c(O)3)C([H])(C=2)C([H])(CCC(C(O)=O)2)C(C)(C)1
InChI Key YOVRGSHRZRJTLZ-HZPDHXFCSA-N
Molecular Formula C21H28O4
Exact Mass 344.199 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-WA000868
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MetadataPublished 2016-01-19
Related Molecule
  • (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    77273 ChEBI
    32457239 eMolecules
    PD019630 ProbesDrugs
    4TPC9E4A32 FDA SRS
    SCHEMBL13587290 SureChEMBL
    36759070 eMolecules
    57904-08-2 ACToR
    16196546 PubChem: Thomson Pharma
    124340322 PubChem: Thomson Pharma
    108207 PubChem
    56354-06-4 ACToR
    DTXSID20204907 EPA CompTox Dashboard
    MTBLC77273 Metabolights
    ZINC000002572326 ZINC
    J356.101A Nikkaji
    84885 BindingDB
    CHEMBL3263381 ChEMBL
    The data in this table is sourced from UniChem at EBI.