Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C8H10N2O2/c1-12-8-3-2-6(9)4-7(8)10-5-11/h2-5H,9H2,1H3,(H,10,11)
SMILES COc1ccc(cc1NC=O)N
InChI Key GAPCMYIHVRFISC-UHFFFAOYSA-N
Molecular Formula C8H10N2O2
Exact Mass 166.177 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GAPCMYIHVRFISC-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/GAPCMYIHVRFISC-UHFFFAOYSA-N/CHMO0000498
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-02
Related Molecule
  • N-(5-amino-2-methoxyphenyl)formamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID60455335 EPA CompTox Dashboard
    ZINC000022062155 ZINC
    16526309 eMolecules
    16178672 PubChem: Thomson Pharma
    SCHEMBL5223314 SureChEMBL
    11105716 PubChem
    The data in this table is sourced from UniChem at EBI.