Dataset

Bromoxynil

This MassBank record with Accession MSBNK-Waters-WA000251 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-WA000251
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:50.184035
MetadataModified 2024-01-11T22:49:50.336474
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15531 PubChem
SCHEMBL19210 SureChEMBL
20044529 NMRShiftDB
489993 eMolecules
9031 Brenda
32163 Brenda
CB3351156 ChemicalBook
J46EK95K0P FDA SRS
1689-84-5 ACToR
14872870 PubChem: Thomson Pharma
J7.557D Nikkaji
DTXSID3022162 EPA CompTox Dashboard
MCULE-5251221789 Mcule
ZINC000000334873 ZINC
BAJYIU CCDC
C04178 KEGG Ligand
CHEMBL453905 ChEMBL
17192 ChEBI
The data in this table is sourced from UniChem at EBI.