Dataset

Meclofenoxate; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA001919 contains the MS mass spectrum of Meclofenoxate with the InChIkey XZTYGFHCIAKPGJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3
SMILES CN(C)CCOC(=O)COc(c1)ccc(Cl)c1
InChI Key XZTYGFHCIAKPGJ-UHFFFAOYSA-N
Molecular Formula C12H16ClNO3
Exact Mass 257.082 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-WA001919
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13758 drugbank
    CHEBI:6712 chebi
    CHEMBL64545 chembl
    147339 surechembl
    4039 pubchem
    PD013213 probes_and_drugs
    94126 brenda
    C76QQ2I0RG fdasrs
    HMDB0254396 hmdb
    1651 drugcentral
    The data in this table is sourced from UniChem at EBI.