Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C13H15N3O/c1-9-7-10(2)16(15-9)13-6-4-5-12(8-13)14-11(3)17/h4-8H,1-3H3,(H,14,17)
SMILES CC(=O)Nc1cccc(c1)n1nc(cc1C)C
InChI Key JEXRILTUQBARTM-UHFFFAOYSA-N
Molecular Formula C13H15N3O
Exact Mass 229.278 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JEXRILTUQBARTM-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/JEXRILTUQBARTM-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-07-17
Related Molecule
  • N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    72027883 pubchem
    The data in this table is sourced from UniChem at EBI.