Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C8H10BrN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
SMILES CN(c1ccccc1Br)C
InChI Key ONMSBNJJCUCYED-UHFFFAOYSA-N
Molecular Formula C8H10BrN
Exact Mass 200.076 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ONMSBNJJCUCYED-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/ONMSBNJJCUCYED-UHFFFAOYSA-N/CHMO0000480
Version
Author Xuemin Gan
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-09
Related Molecule
  • 2-bromo-N,N-dimethylaniline
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J567.152C Nikkaji
    DTXSID80220087 EPA CompTox Dashboard
    ZINC000001665953 ZINC
    CB6437839 ChemicalBook
    136527 PubChem
    698-00-0 ACToR
    SCHEMBL545805 SureChEMBL
    16841746 PubChem: Thomson Pharma
    523775 eMolecules
    MCULE-2195394586 Mcule
    20207517 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.