Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H13NO/c1-7-4-8(2)6-10(5-7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
SMILES CC(=O)Nc1cc(C)cc(c1)C
InChI Key HFAYQHIHIBTMBI-UHFFFAOYSA-N
Molecular Formula C10H13NO
Exact Mass 163.216 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HFAYQHIHIBTMBI-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/HFAYQHIHIBTMBI-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-06-25
Related Molecule
  • N-(3,5-dimethylphenyl)acetamide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    849875 surechembl
    74903 pubchem
    DNL9S5KW3A fdasrs
    NIFGIT CCDC
    137673 brenda
    Molport-001-815-171 molport
    The data in this table is sourced from UniChem at EBI.