Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H5BrN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H
SMILES Brc1cnc2c(n1)cccc2
InChI Key XVKLMYQMVPHUPN-UHFFFAOYSA-N
Molecular Formula C8H5BrN2
Exact Mass 209.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XVKLMYQMVPHUPN-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/XVKLMYQMVPHUPN-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:53:18.097108
MetadataModified 2024-09-07T18:55:38.591452
MetadataPublished 2020-10-05
Related Molecule
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB9145423 ChemicalBook
J586.566B Nikkaji
DTXSID30342465 EPA CompTox Dashboard
MCULE-6929421051 Mcule
SCHEMBL197269 SureChEMBL
ZINC000021985276 ZINC
582225 PubChem
2727649 eMolecules
The data in this table is sourced from UniChem at EBI.