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
94686 PubChem
163481410 PubChem: Thomson Pharma
WC7DBL9WD6 FDA SRS
82692-44-2 ACToR
SCHEMBL55547 SureChEMBL
J153.984A Nikkaji
HMDB0041340 Human Metabolome Database
ZINC000002383231 ZINC
DTXSID5058193 EPA CompTox Dashboard
81829 ChEBI
36095395 eMolecules
C18555 KEGG Ligand
The data in this table is sourced from UniChem at EBI.