Dataset

Indoxacarb; LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00352909 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)N(C(=O)N1CO[C@]2(CC3=C(C=CC(Cl)=C3)C2=N1)C(=O)OC)C1=CC=C(OC(F)(F)F)C=C1
InChI Key VBCVPMMZEGZULK-NRFANRHFSA-N
Molecular Formula C22H17ClF3N3O7
Exact Mass 527.071 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-EQ00352909
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MetadataPublished 2024-06-14
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
    C18569 KEGG Ligand
    CHEMBL197676 ChEMBL
    38630 ChEBI
    CB5215218 ChemicalBook
    DTXSID1032690 EPA CompTox Dashboard
    J1.022.002E Nikkaji
    WESWID CCDC
    CB1942923 ChemicalBook
    CB2215217 ChemicalBook
    SCHEMBL22073 SureChEMBL
    ZINC000028527855 ZINC
    499200 eMolecules
    173584-44-6 ACToR
    52H0D26MWR FDA SRS
    107720 PubChem
    49650865 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.