Dataset

Indoxacarb

This MassBank record with Accession MSBNK-Waters-WA000031 contains the MS2 mass spectrum of Indoxacarb with the InChIkey VBCVPMMZEGZULK-NRFANRHFSA-N.

Chemical Info

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(c4)ccc(OC(F)(F)F)c4)C(=O)N(C3)N=C(c21)C(O3)(C(=O)OC)Cc(cc(Cl)cc2)1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000031
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:30:43.685089
MetadataModified 2025-02-09T20:21:52.621925
MetadataPublished 2016-01-19
Related Molecule
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.