Dataset

Oryzalin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

This MassBank record with Accession MSBNK-Waters-WA000037 contains the MS2 mass spectrum of Oryzalin with the InChIkey UNAHYJYOSSSJHH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)
SMILES CCCN(CCC)c(c(N(=O)=O)1)c(N(=O)=O)cc(c1)S(N)(=O)=O
InChI Key UNAHYJYOSSSJHH-UHFFFAOYSA-N
Molecular Formula C12H18N4O6S
Exact Mass 346.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000037
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-(dipropylamino)-3,5-dinitrobenzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:73163 chebi
    CHEMBL295960 chembl
    55377 surechembl
    29393 pubchem
    662E385DWH fdasrs
    PD167222 probes_and_drugs
    MUGDEZ CCDC
    77349 brenda
    Molport-003-930-924 molport
    81743 bindingdb
    The data in this table is sourced from UniChem at EBI.