Dataset

Bromuconazole

This MassBank record with Accession MSBNK-Eawag-EQ00370006 contains the MS2 mass spectrum of Bromuconazole with the InChIkey HJJVPARKXDDIQD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2
SMILES ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)CC(Br)CO1
InChI Key HJJVPARKXDDIQD-UHFFFAOYSA-N
Molecular Formula C13H12BrCl2N3O
Exact Mass 374.954 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-EQ00370006
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:32:16.141985
MetadataModified 2025-02-09T09:32:16.295995
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
116255-48-2 ACToR
14829142 PubChem: Thomson Pharma
SCHEMBL22340 SureChEMBL
510863 eMolecules
PHS29ZMZ81 FDA SRS
DTXSID9032531 EPA CompTox Dashboard
21165 BindingDB
81900 ChEBI
J705.362B Nikkaji
3444 PubChem
CHEMBL271579 ChEMBL
C18704 KEGG Ligand
The data in this table is sourced from UniChem at EBI.