Dataset

Bromoxynil

This MassBank record with Accession MSBNK-Waters-WA000249 contains the MS2 mass spectrum of Bromoxynil with the InChIkey UPMXNNIRAGDFEH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
SMILES N#Cc(c1)cc(Br)c(O)c(Br)1
InChI Key UPMXNNIRAGDFEH-UHFFFAOYSA-N
Molecular Formula C7H3Br2NO
Exact Mass 274.858 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000249
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:04.718664
MetadataModified 2025-02-09T20:23:07.466339
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-5251221789 Mcule
DTXSID3022162 EPA CompTox Dashboard
BAJYIU CCDC
J7.557D Nikkaji
ZINC000000334873 ZINC
C04178 KEGG Ligand
CHEMBL453905 ChEMBL
17192 ChEBI
20044529 NMRShiftDB
SCHEMBL19210 SureChEMBL
32163 Brenda
9031 Brenda
CB3351156 ChemicalBook
15531 PubChem
14872870 PubChem: Thomson Pharma
1689-84-5 ACToR
J46EK95K0P FDA SRS
489993 eMolecules
The data in this table is sourced from UniChem at EBI.