Dataset

Mephedrone; LC-ESI-QTOF; MS2; CE: RAMP 17.2-25.8 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU169606 contains the MS2 mass spectrum of Mephedrone with the InChIkey YELGFTGWJGBAQU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3
SMILES Cc1ccc(cc1)C(=O)C(C)NC
InChI Key YELGFTGWJGBAQU-UHFFFAOYSA-N
Molecular Formula C11H15NO
Exact Mass 177.115 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-AU169606
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Maintainer
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MetadataPublished 2016-02-29
Related Molecule
  • 2-(methylamino)-1-(4-methylphenyl)propan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13108 drugbank
    CHEBI:59331 chebi
    CHEMBL4094396 chembl
    727913 surechembl
    45266826 pubchem
    8BA8T27317 fdasrs
    PD058232 probes_and_drugs
    HMDB0041923 hmdb
    50236718 bindingdb
    The data in this table is sourced from UniChem at EBI.