Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
SMILES Cc1ccc(c(c1)S)N
InChI Key VUMZNLOQJGKGNE-UHFFFAOYSA-N
Molecular Formula C7H9NS
Exact Mass 139.218 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VUMZNLOQJGKGNE-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/VUMZNLOQJGKGNE-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-amino-5-methylbenzenethiol
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1971557 chembl
    1983476 surechembl
    323260 pubchem
    26PK7F39Q5 fdasrs
    Molport-019-590-733 molport
    The data in this table is sourced from UniChem at EBI.