Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3
SMILES CNc1ccc(cc1)c1nc2c(s1)cccc2
InChI Key FHJRKGXJBXPBGA-UHFFFAOYSA-N
Molecular Formula C14H12N2S
Exact Mass 240.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FHJRKGXJBXPBGA-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/FHJRKGXJBXPBGA-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:33:58.845757
MetadataModified 2024-09-07T17:08:48.037900
MetadataPublished 2020-02-28
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14798355 PubChem: Thomson Pharma
9837643 PubChem
13733363 eMolecules
SCHEMBL493341 SureChEMBL
MCULE-1916022702 Mcule
CHEMBL93334 ChEMBL
DTXSID90431602 EPA CompTox Dashboard
ZINC000000009200 ZINC
50109052 BindingDB
J1.679.284E Nikkaji
CB1972568 ChemicalBook
The data in this table is sourced from UniChem at EBI.