Dataset

Indoxacarb; LC-ESI-QTOF; MS2; 100 V

This MassBank record with Accession MSBNK-BAFG-CSL2311095207 contains the MS2 mass spectrum of Indoxacarb with the InChIkey VBCVPMMZEGZULK-NRFANRHFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1
SMILES COC(=O)[C@]12Cc3cc(ccc3C1=NN(CO2)C(=O)N(c4ccc(cc4)OC(F)(F)F)C(=O)OC)Cl
InChI Key VBCVPMMZEGZULK-NRFANRHFSA-N
Molecular Formula C22H17ClF3N3O7
Exact Mass 527.071 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311095207
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Author
Maintainer
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MetadataPublished 2023-11-09
Related Molecule
  • methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38630 chebi
    CHEMBL197676 chembl
    22073 surechembl
    29370513 surechembl
    107720 pubchem
    52H0D26MWR fdasrs
    PD208770 probes_and_drugs
    WESWID CCDC
    Molport-003-930-488 molport
    The data in this table is sourced from UniChem at EBI.