Dataset

Fenbuconazole

This MassBank record with Accession MSBNK-Eawag-EQ00352003 contains the MS2 mass spectrum of Fenbuconazole with the InChIkey RQDJADAKIFFEKQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2
SMILES C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N
InChI Key RQDJADAKIFFEKQ-UHFFFAOYSA-N
Molecular Formula C19H17ClN4
Exact Mass 336.114 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-EQ00352003
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:55:34.468590
MetadataModified 2025-02-09T09:55:34.640157
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1879687 ChEMBL
C18461 KEGG Ligand
207863 Brenda
CB7405237 ChemicalBook
J583.573I Nikkaji
83920 ChEBI
P9P3C2AL0Z FDA SRS
DTXSID8032548 EPA CompTox Dashboard
207864 Brenda
SCHEMBL21792 SureChEMBL
510869 eMolecules
14777772 PubChem: Thomson Pharma
86138 PubChem
114369-43-6 ACToR
119611-00-6 ACToR
The data in this table is sourced from UniChem at EBI.