Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2O3/c1-7(16)9-3-8-4-12(17-2)11(13-6-15)5-10(8)14-9/h3-6,14H,1-2H3,(H,13,15)
SMILES O=CNc1cc2[nH]c(cc2cc1OC)C(=O)C
InChI Key CFUDBJNBUQJVCC-UHFFFAOYSA-N
Molecular Formula C12H12N2O3
Exact Mass 232.235 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CFUDBJNBUQJVCC-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/CFUDBJNBUQJVCC-UHFFFAOYSA-N/CHMO0000498
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-02
Related Molecule
  • N-(2-acetyl-5-methoxy-1H-indol-6-yl)formamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416616 pubchem
    The data in this table is sourced from UniChem at EBI.