Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
SMILES CC(=O)Nc1ccccc1C
InChI Key BPEXTIMJLDWDTL-UHFFFAOYSA-N
Molecular Formula C9H11NO
Exact Mass 149.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BPEXTIMJLDWDTL-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/BPEXTIMJLDWDTL-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-06-05
Related Molecule
  • N-(2-methylphenyl)acetamide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:189137 chebi
    CHEMBL1568309 chembl
    10517748 surechembl
    96123 surechembl
    8443 pubchem
    425I3L2A81 fdasrs
    REZRIY CCDC
    145732 brenda
    69696 brenda
    Molport-000-564-460 molport
    The data in this table is sourced from UniChem at EBI.