Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU255202 contains the MS2 mass spectrum of Quinmerac with the InChIkey ALZOLUNSQWINIR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)
SMILES CC1=CC2=C(N=C1)C(C(O)=O)=C(Cl)C=C2
InChI Key ALZOLUNSQWINIR-UHFFFAOYSA-N
Molecular Formula C11H8ClNO2
Exact Mass 221.024 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU255202
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MetadataPublished 2019-05-29
Related Molecule
  • 7-chloro-3-methylquinoline-8-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0257043 Human Metabolome Database
    84199 ChEBI
    J661.713A Nikkaji
    DTXSID1042364 EPA CompTox Dashboard
    CB8468273 ChemicalBook
    C18891 KEGG Ligand
    ZINC000002516979 ZINC
    CHEMBL2448918 ChEMBL
    91749 PubChem
    SCHEMBL54128 SureChEMBL
    14797970 PubChem: Thomson Pharma
    90717-03-6 ACToR
    0OFY83UPMH FDA SRS
    501265 eMolecules
    The data in this table is sourced from UniChem at EBI.