Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H12BrN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
SMILES Brc1ccc2c(c1)C(C)(C)C(=N2)C
InChI Key OUWLZEOAVCFTAQ-UHFFFAOYSA-N
Molecular Formula C11H12BrN
Exact Mass 238.124 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OUWLZEOAVCFTAQ-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/OUWLZEOAVCFTAQ-UHFFFAOYSA-N/Mass
Version
Author Alex Braun
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-25
Related Molecule
  • 5-bromo-2,3,3-trimethylindole
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    317019 surechembl
    11230141 pubchem
    219341 brenda
    Molport-006-827-221 molport
    The data in this table is sourced from UniChem at EBI.