Dataset

Cloquintocet-mexyl; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000044 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)COc(c1)c(n2)c(ccc2)c(Cl)c1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000044
Version
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Maintainer
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MetadataPublished 2016-01-19
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
    93528 PubChem
    MCULE-7044705326 Mcule
    CB3243431 ChemicalBook
    143155 ChEBI
    DTXSID3041794 EPA CompTox Dashboard
    HY-B2024 MedChemExpress
    99W15EH2M3 FDA SRS
    CHEMBL3185510 ChEMBL
    HMDB0250362 Human Metabolome Database
    J825.358G Nikkaji
    62981 Brenda
    510946 eMolecules
    16573804 PubChem: Thomson Pharma
    SCHEMBL96159 SureChEMBL
    99607-70-2 ACToR
    PD011978 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.