Dataset

Fluxapyroxad (BAS 700 F)-TP CSCD465008; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ418307 contains the MS2 mass spectrum of Fluxapyroxad (BAS 700 F)-TP CSCD465008 with the InChIkey IGQNDARULCASRN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H4F2N2O2/c6-4(7)3-2(5(10)11)1-8-9-3/h1,4H,(H,8,9)(H,10,11)
SMILES OC(=O)C1=CNN=C1C(F)F
InChI Key IGQNDARULCASRN-UHFFFAOYSA-N
Molecular Formula C5H4F2N2O2
Exact Mass 162.024 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-EQ418307
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Maintainer
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MetadataPublished 2019-12-03
Related Molecule
  • 5-(difluoromethyl)-1H-pyrazole-4-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    191042 ChEBI
    SCHEMBL601435 SureChEMBL
    DTXSID20894963 EPA CompTox Dashboard
    ZINC000061630023 ZINC
    2T77737K3D FDA SRS
    J3.347.223D Nikkaji
    19754697 PubChem
    The data in this table is sourced from UniChem at EBI.