Dataset

JWH-018; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU170607 contains the MS2 mass spectrum of JWH-018 with the InChIkey JDNLPKCAXICMBW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3
SMILES CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
InChI Key JDNLPKCAXICMBW-UHFFFAOYSA-N
Molecular Formula C24H23NO
Exact Mass 341.178 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-AU170607
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MetadataPublished 2016-02-26
Related Molecule
  • naphthalen-1-yl-(1-pentylindol-3-yl)methanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    G391998J57 FDA SRS
    SCHEMBL1707018 SureChEMBL
    ZINC000013476531 ZINC
    9706 Guide to Pharmacology
    10382701 PubChem
    185787 ChEBI
    15397880 PubChem: Thomson Pharma
    209414-07-3 ACToR
    PD016807 ProbesDrugs
    27345138 eMolecules
    HMDB0243989 Human Metabolome Database
    DTXSID10175117 EPA CompTox Dashboard
    50353747 BindingDB
    J770.893I Nikkaji
    CHEMBL561013 ChEMBL
    The data in this table is sourced from UniChem at EBI.