Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

Chemical Information

molecular Image
InChI InChI=1S/C10H10N2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,11H2,1H3
SMILES Cc1ccnc2c1cccc2N
InChI Key JRIMCEIADALFEE-UHFFFAOYSA-N
Molecular Formula C10H10N2
Exact Mass 158.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JRIMCEIADALFEE-UHFFFAOYSA-N/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/JRIMCEIADALFEE-UHFFFAOYSA-N/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-10
Related Molecule
  • 4-methylquinolin-8-amine
    • Field Value
    Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    97374 PubChem
    16178554 PubChem: Thomson Pharma
    62748-01-0 ACToR
    812080 eMolecules
    SCHEMBL4640797 SureChEMBL
    MCULE-2290391542 Mcule
    CHEMBL1890904 ChEMBL
    CB12292213 ChemicalBook
    J90.211J Nikkaji
    DTXSID4069632 EPA CompTox Dashboard
    ZINC000001440381 ZINC
    The data in this table is sourced from UniChem at EBI.