Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)
SMILES N#Cc1ccc(cc1)NC(=O)C
InChI Key UFKRTEWFEYWIHD-UHFFFAOYSA-N
Molecular Formula C9H8N2O
Exact Mass 160.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UFKRTEWFEYWIHD-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/UFKRTEWFEYWIHD-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-06-25
Related Molecule
  • N-(4-cyanophenyl)acetamide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:194990 chebi
    S0P rcsb_pdb
    1344408 surechembl
    37256 pubchem
    CX4HYQ9P3J fdasrs
    KOHXAI CCDC
    Molport-000-886-263 molport
    The data in this table is sourced from UniChem at EBI.