Dataset

Difenoconazole

This MassBank record with Accession MSBNK-Athens_Univ-AU258602 contains the MS2 mass spectrum of Difenoconazole with the InChIkey BQYJATMQXGBDHF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3
SMILES CC1COC(CN2C=NC=N2)(O1)C1=C(Cl)C=C(OC2=CC=C(Cl)C=C2)C=C1
InChI Key BQYJATMQXGBDHF-UHFFFAOYSA-N
Molecular Formula C19H17Cl2N3O3
Exact Mass 405.065 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU258602
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:51:21.245175
MetadataModified 2025-02-08T19:04:25.163484
MetadataPublished 2019-05-29
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL466426 ChEMBL
C18459 KEGG Ligand
HY-B0850 MedChemExpress
DTXSID4032372 EPA CompTox Dashboard
HMDB0251255 Human Metabolome Database
81760 ChEBI
J578.459J Nikkaji
PD061748 ProbesDrugs
50089617 PubChem: Thomson Pharma
119446-68-3 ACToR
SCHEMBL22125 SureChEMBL
501286 eMolecules
CB4740447 ChemicalBook
68708 Brenda
86173 PubChem
The data in this table is sourced from UniChem at EBI.