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
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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
    CHEMBL64545 ChEMBL
    C08195 KEGG Ligand
    CB9751497 ChemicalBook
    DB13758 DrugBank
    MECLOFENOXATE clinicaltrials
    CETREXIN clinicaltrials
    6712 ChEBI
    DTXSID9046940 EPA CompTox Dashboard
    1651 DrugCentral
    ZINC000001531029 ZINC
    J4.124F Nikkaji
    HMDB0254396 Human Metabolome Database
    MECLOFENOXATE rxnorm
    MCULE-4430192880 Mcule
    94126 Brenda
    902091 eMolecules
    51-68-3 ACToR
    LSM-5273 LINCS
    C76QQ2I0RG FDA SRS
    SCHEMBL147339 SureChEMBL
    14798874 PubChem: Thomson Pharma
    4039 PubChem
    PD013213 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.