Dataset

Methadone; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001062 contains the MS mass spectrum of Methadone with the InChIkey USSIQXCVUWKGNF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
SMILES CN(C)C(C)CC(C(=O)CC)(c(c2)cccc2)c(c1)cccc1
InChI Key USSIQXCVUWKGNF-UHFFFAOYSA-N
Molecular Formula C21H27NO
Exact Mass 309.209 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-WA001062
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 6-(dimethylamino)-4,4-diphenylheptan-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00333 drugbank
    CHEBI:167309 chebi
    CHEMBL651 chembl
    34140 surechembl
    4095 pubchem
    UC6VBE7V1Z fdasrs
    1605 gtopdb
    5458 gtopdb
    PD010093 probes_and_drugs
    HMDB0014477 hmdb
    1728 drugcentral
    82507 bindingdb
    The data in this table is sourced from UniChem at EBI.