Dataset

Nitrofen; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ309801 contains the MS2 mass spectrum of Nitrofen with the InChIkey XITQUSLLOSKDTB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
SMILES c1(Oc2ccc([N+](=O)[O-])cc2)c(cc(Cl)cc1)Cl
InChI Key XITQUSLLOSKDTB-UHFFFAOYSA-N
Molecular Formula C12H7Cl2NO3
Exact Mass 282.980 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-EQ309801
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Maintainer
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MetadataPublished 2015-08-25
Related Molecule
  • 2,4-dichloro-1-(4-nitrophenoxy)benzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:7590 chebi
    CHEMBL561004 chembl
    29364713 surechembl
    38981 surechembl
    15787 pubchem
    N71UYG034A fdasrs
    PD053834 probes_and_drugs
    55892 brenda
    HMDB0041951 hmdb
    The data in this table is sourced from UniChem at EBI.