Dataset

Carfentrazone-ethyl

This MassBank record with Accession MSBNK-Eawag-EQ00354305 contains the MS2 mass spectrum of Carfentrazone-ethyl with the InChIkey MLKCGVHIFJBRCD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3
SMILES CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl
InChI Key MLKCGVHIFJBRCD-UHFFFAOYSA-N
Molecular Formula C15H14Cl2F3N3O3
Exact Mass 411.036 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-EQ00354305
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:46:50.485458
MetadataModified 2025-02-09T09:46:50.669441
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C11094 KEGG Ligand
86222 PubChem
J653.643C Nikkaji
HMDB0249673 Human Metabolome Database
45Y208AO5K FDA SRS
DTXSID4032532 EPA CompTox Dashboard
SCHEMBL38936 SureChEMBL
CHEMBL2145069 ChEMBL
16197599 PubChem: Thomson Pharma
128639-02-1 ACToR
499449 eMolecules
138244 ChEBI
14344 Brenda
36348 Brenda
CB0172059 ChemicalBook
The data in this table is sourced from UniChem at EBI.