Dataset

Fluxapyroxad (BAS 700 F)-TP CSAA798670; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ418453 contains the MS2 mass spectrum of Fluxapyroxad (BAS 700 F)-TP CSAA798670 with the InChIkey RLOHOBNEYHBZID-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)
SMILES CN1C=C(C(O)=O)C(=N1)C(F)F
InChI Key RLOHOBNEYHBZID-UHFFFAOYSA-N
Molecular Formula C6H6F2N2O2
Exact Mass 176.040 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-EQ418453
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Maintainer
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MetadataPublished 2019-12-03
Related Molecule
  • 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    18983008 PubChem
    MCULE-9147144469 Mcule
    20527OAN56 FDA SRS
    DTXSID80597105 EPA CompTox Dashboard
    ZINC000040435261 ZINC
    J2.629.165H Nikkaji
    CB52474530 ChemicalBook
    SCHEMBL20141 SureChEMBL
    46499216 PubChem: Thomson Pharma
    28220137 eMolecules
    The data in this table is sourced from UniChem at EBI.