Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H13N3O/c1-9-6-7-15(14-9)12-5-3-4-11(8-12)13-10(2)16/h3-8H,1-2H3,(H,13,16)
SMILES CC(=O)Nc1cccc(c1)n1ccc(n1)C
InChI Key VLGVYPIEJBSDAS-UHFFFAOYSA-N
Molecular Formula C12H13N3O
Exact Mass 215.251 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VLGVYPIEJBSDAS-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/VLGVYPIEJBSDAS-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-09-10
Related Molecule
  • N-[3-(3-methylpyrazol-1-yl)phenyl]acetamide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134812849 pubchem
    The data in this table is sourced from UniChem at EBI.