Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C11H10N2/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-8H,12H2
SMILES Nc1ccccc1c1ccncc1
InChI Key ODRIUFNOBKDEJX-UHFFFAOYSA-N
Molecular Formula C11H10N2
Exact Mass 170.210 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ODRIUFNOBKDEJX-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/ODRIUFNOBKDEJX-UHFFFAOYSA-N/CHMO0000470
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:45:41.504604
MetadataModified 2024-09-08T00:45:41.504609
MetadataPublished 2023-03-06
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL396362 SureChEMBL
13192373 eMolecules
MCULE-8208997689 Mcule
13546446 PubChem
DTXSID00543422 EPA CompTox Dashboard
ZINC000026897742 ZINC
The data in this table is sourced from UniChem at EBI.