Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU162802 contains the MS2 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 CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU162802
Version
Author
Maintainer
Language
MetadataPublished 2015-12-07
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.