Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3
SMILES Cc1ccc2n(c1)cc(n2)c1ccccc1
InChI Key GYOZQHDHGJDZIQ-UHFFFAOYSA-N
Molecular Formula C14H12N2
Exact Mass 208.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GYOZQHDHGJDZIQ-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/GYOZQHDHGJDZIQ-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:39:55.026458
MetadataModified 2024-09-08T00:39:55.026463
MetadataPublished 2023-03-03
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
38922 BindingDB
DTXSID10351292 EPA CompTox Dashboard
ZINC000000071122 ZINC
CB5308053 ChemicalBook
J3.139.197K Nikkaji
MCULE-4463448028 Mcule
696176 PubChem
SCHEMBL1987470 SureChEMBL
15737960 PubChem: Thomson Pharma
CHEMBL1621642 ChEMBL
1427310 eMolecules
The data in this table is sourced from UniChem at EBI.