Dataset

Benzofenap

This MassBank record with Accession MSBNK-Waters-WA000147 contains the MS2 mass spectrum of Benzofenap with the InChIkey JDWQITFHZOBBFE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3
SMILES Cc(c3)ccc(c3)C(=O)COc(n(C)2)c(c(C)n2)C(=O)c(c1)c(Cl)c(C)c(Cl)c1
InChI Key JDWQITFHZOBBFE-UHFFFAOYSA-N
Molecular Formula C22H20Cl2N2O3
Exact Mass 430.085 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-WA000147
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:26.363124
MetadataModified 2024-01-11T22:50:26.513946
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL55547 SureChEMBL
J153.984A Nikkaji
DTXSID5058193 EPA CompTox Dashboard
81829 ChEBI
ZINC000002383231 ZINC
HMDB0041340 Human Metabolome Database
94686 PubChem
163481410 PubChem: Thomson Pharma
WC7DBL9WD6 FDA SRS
82692-44-2 ACToR
36095395 eMolecules
C18555 KEGG Ligand
The data in this table is sourced from UniChem at EBI.