Dataset

JWH-073; LC-ESI-QTOF; MS2; HILIC; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU170408 contains the MS2 mass spectrum of JWH-073 with the InChIkey VCHHHSMPMLNVGS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
SMILES CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
InChI Key VCHHHSMPMLNVGS-UHFFFAOYSA-N
Molecular Formula C23H21NO
Exact Mass 327.162 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-AU170408
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MetadataPublished 2016-02-26
Related Molecule
  • (1-butylindol-3-yl)-naphthalen-1-ylmethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000038928174 ZINC
    DTXSID20175042 EPA CompTox Dashboard
    BBX3BP2772 FDA SRS
    J2.856.750B Nikkaji
    15495044 PubChem: Thomson Pharma
    10471670 PubChem
    PD016808 ProbesDrugs
    181123 ChEBI
    27345104 eMolecules
    SCHEMBL11983320 SureChEMBL
    HMDB0245597 Human Metabolome Database
    CHEMBL2380416 ChEMBL
    85804 BindingDB
    EROCIY CCDC
    The data in this table is sourced from UniChem at EBI.