Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C7H10N2O/c1-8(2)7-3-5-9(10)6-4-7/h3-6H,1-2H3
SMILES CN(c1cc[n+](cc1)[O-])C
InChI Key WZMNQOYCHMGCSS-UHFFFAOYSA-N
Molecular Formula C7H10N2O
Exact Mass 138.167 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WZMNQOYCHMGCSS-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/WZMNQOYCHMGCSS-UHFFFAOYSA-N/CHMO0000498
Version
Author Burkhard Koenig
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • N,N-dimethyl-1-oxidopyridin-1-ium-4-amine
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID00143345 EPA CompTox Dashboard
    ZINC000001420534 ZINC
    GAKSAM CCDC
    J182.501A Nikkaji
    CB6112402 ChemicalBook
    16080876 PubChem: Thomson Pharma
    136795 PubChem
    1005-31-8 ACToR
    3725889 eMolecules
    SCHEMBL329164 SureChEMBL
    90388 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.