Dataset

Cloquintocet-mexyl; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00381204 contains the MS2 mass spectrum of Cloquintocet-mexyl with the InChIkey COYBRKAVBMYYSF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
SMILES CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12
InChI Key COYBRKAVBMYYSF-UHFFFAOYSA-N
Molecular Formula C18H22ClNO3
Exact Mass 335.129 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-Eawag-EQ00381204
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MetadataPublished 2024-06-14
Related Molecule
  • heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:143155 chebi
    CHEMBL3185510 chembl
    29372446 surechembl
    29452812 surechembl
    96159 surechembl
    93528 pubchem
    99W15EH2M3 fdasrs
    PD011978 probes_and_drugs
    62981 brenda
    HMDB0250362 hmdb
    Molport-002-859-184 molport
    The data in this table is sourced from UniChem at EBI.