Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H11NO2/c1-2-11-8(3-4-12-11)5-9(1)13-6-10-7-14-10/h1-5,10,12H,6-7H2
SMILES c1[nH]c2c(c1)cc(cc2)OCC1CO1
InChI Key QEXOXABEHNRXRP-UHFFFAOYSA-N
Molecular Formula C11H11NO2
Exact Mass 189.211 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QEXOXABEHNRXRP-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/QEXOXABEHNRXRP-UHFFFAOYSA-N/CHMO0000470
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-22
Related Molecule
  • 5-(oxiran-2-ylmethoxy)-1H-indole
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    9855690 PubChem
    14818599 PubChem: Thomson Pharma
    SCHEMBL3138373 SureChEMBL
    DTXSID90431829 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.