Dataset

gas chromatography-mass spectrometry (GCMS)

dataset for gas chromatography-mass spectrometry (GCMS)

Chemical Information

molecular Image
InChI InChI=1S/C10H10BrN3O/c1-2-5-14-10(15)8-6-7(11)3-4-9(8)12-13-14/h3-4,6H,2,5H2,1H3
SMILES CCCn1nnc2c(c1=O)cc(cc2)Br
InChI Key HQVWMXAVNTVYAV-UHFFFAOYSA-N
Molecular Formula C10H10BrN3O
Exact Mass 268.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HQVWMXAVNTVYAV-UHFFFAOYSA-N/Mass/GCMS.1
License URL
Source https://www.chemotion-repository.net/inchikey/HQVWMXAVNTVYAV-UHFFFAOYSA-N/Mass/GCMS.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-09-30
Related Molecule
  • 6-bromo-3-propyl-1,2,3-benzotriazin-4-one
    • Field Value
    Measurement Technique gas chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    70810170 PubChem
    SCHEMBL12963695 SureChEMBL
    DTXSID10744029 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.