Dataset

Flumequine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU103003 contains the MS2 mass spectrum of Flumequine with the InChIkey DPSPPJIUMHPXMA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
SMILES CC1CCC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2
InChI Key DPSPPJIUMHPXMA-UHFFFAOYSA-N
Molecular Formula C14H12FNO3
Exact Mass 261.080 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-AU103003
Version
Author
Maintainer
Language
MetadataPublished 2019-05-30
Related Molecule
  • 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J16.025C Nikkaji
    85269 ChEBI
    UVG8VSP2SJ FDA SRS
    MCULE-1576355150 Mcule
    1197 DrugCentral
    HY-B0526 MedChemExpress
    DB08972 DrugBank
    DTXSID5045623 EPA CompTox Dashboard
    FLUMEQUINE rxnorm
    CHEMBL370252 ChEMBL
    474312 eMolecules
    14996210 PubChem: Thomson Pharma
    3374 PubChem
    PD001520 ProbesDrugs
    LSM-5129 LINCS
    flumequine Selleck
    42835-25-6 ACToR
    SCHEMBL49829 SureChEMBL
    143984-63-8 ACToR
    CB1264632 ChemicalBook
    HMDB0041895 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.