Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C10H10N2/c1-12-8-4-6-10(12)9-5-2-3-7-11-9/h2-8H,1H3
SMILES Cn1cccc1c1ccccn1
InChI Key YRMIZZHAGCDHTG-UHFFFAOYSA-N
Molecular Formula C10H10N2
Exact Mass 158.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YRMIZZHAGCDHTG-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/YRMIZZHAGCDHTG-UHFFFAOYSA-N/CHMO0000498
Version
Author Robert Wolf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-14
Related Molecule
  • 2-(1-methylpyrrol-2-yl)pyridine
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J6.655I Nikkaji
    MCULE-9819108414 Mcule
    DTXSID60200504 EPA CompTox Dashboard
    ZINC000016382586 ZINC
    525-75-7 ACToR
    16154238 PubChem: Thomson Pharma
    183813 ChEBI
    6265Y1R03C FDA SRS
    3013899 PubChem
    SCHEMBL5163455 SureChEMBL
    The data in this table is sourced from UniChem at EBI.