Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H6Br2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
SMILES Nc1cc(Br)c(cc1N)Br
InChI Key TTXGKCVKGXHPRI-UHFFFAOYSA-N
Molecular Formula C6H6Br2N2
Exact Mass 265.933 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TTXGKCVKGXHPRI-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/TTXGKCVKGXHPRI-UHFFFAOYSA-N/CHMO0000470.1
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:47:47.137595
MetadataModified 2024-09-08T01:47:47.137601
MetadataPublished 2023-11-02
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12196944 PubChem
J89.535K Nikkaji
SCHEMBL2244271 SureChEMBL
36729943 eMolecules
50129817 PubChem: Thomson Pharma
ZINC000000404580 ZINC
DTXSID30480013 EPA CompTox Dashboard
CB02502812 ChemicalBook
The data in this table is sourced from UniChem at EBI.