Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C11H8BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H
SMILES Brc1ccc(cc1)c1ccncc1
InChI Key GYJBDJGUNDKZKO-UHFFFAOYSA-N
Molecular Formula C11H8BrN
Exact Mass 234.092 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GYJBDJGUNDKZKO-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/GYJBDJGUNDKZKO-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:32:22.020884
MetadataModified 2024-09-07T18:28:21.477604
MetadataPublished 2020-08-08
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3727837 eMolecules
SCHEMBL1773352 SureChEMBL
15864248 PubChem: Thomson Pharma
ZINC000005331402 ZINC
616283 PubChem
J2.633.601E Nikkaji
The data in this table is sourced from UniChem at EBI.