Dataset

Fenhexamid

This MassBank record with Accession MSBNK-Eawag-EQ00305751 contains the MS2 mass spectrum of Fenhexamid with the InChIkey VDLGAVXLJYLFDH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)
SMILES CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1
InChI Key VDLGAVXLJYLFDH-UHFFFAOYSA-N
Molecular Formula C14H17Cl2NO2
Exact Mass 301.064 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-EQ00305751
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:00:24.994629
MetadataModified 2025-02-09T10:00:25.205448
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
XIMQEQ CCDC
HMDB0252201 Human Metabolome Database
J1.063.660D Nikkaji
DTXSID3032549 EPA CompTox Dashboard
CB5118735 ChemicalBook
C18593 KEGG Ligand
CHEMBL1688541 ChEMBL
ZINC000002384330 ZINC
74345 Brenda
SCHEMBL23092 SureChEMBL
511142 eMolecules
17400132 PubChem: Thomson Pharma
Q68C3C9P1U FDA SRS
126833-17-8 ACToR
81853 ChEBI
PD164045 ProbesDrugs
213031 PubChem
The data in this table is sourced from UniChem at EBI.