Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H13NO/c1-13-9-3-4-12(13)10-5-7-11(14-2)8-6-10/h3-9H,1-2H3
SMILES COc1ccc(cc1)c1cccn1C
InChI Key PXBQWUKXYCCXER-UHFFFAOYSA-N
Molecular Formula C12H13NO
Exact Mass 187.238 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PXBQWUKXYCCXER-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/PXBQWUKXYCCXER-UHFFFAOYSA-N/CHMO0000498
Version
Author Robert Wolf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-14
Related Molecule
  • 2-(4-methoxyphenyl)-1-methylpyrrole
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15695997 PubChem
    J2.629.097J Nikkaji
    SCHEMBL11356121 SureChEMBL
    The data in this table is sourced from UniChem at EBI.