Dataset

Fluroxypyr; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EA013456 contains the MS2 mass spectrum of Fluroxypyr with the InChIkey MEFQWPUMEMWTJP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)
SMILES c1(c(c(c(Cl)c(n1)F)N)Cl)OCC(O)=O
InChI Key MEFQWPUMEMWTJP-UHFFFAOYSA-N
Molecular Formula C7H5Cl2FN2O3
Exact Mass 253.967 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-Eawag-EA013456
Version
Author
Maintainer
Language
MetadataPublished 2014-01-14
Related Molecule
  • 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    69377-81-7 ACToR
    15196857 PubChem: Thomson Pharma
    SCHEMBL23545 SureChEMBL
    8O40SHO197 FDA SRS
    CB8389671 ChemicalBook
    ZINC000005178425 ZINC
    50465 PubChem
    C18858 KEGG Ligand
    CHEMBL1895005 ChEMBL
    J372.922B Nikkaji
    145798125 PubChem
    EZONOY CCDC
    82017 ChEBI
    DTXSID2034627 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.