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
MCULE-1916022702 Mcule
SCHEMBL493341 SureChEMBL
J1.679.284E Nikkaji
50109052 BindingDB
ZINC000000009200 ZINC
DTXSID90431602 EPA CompTox Dashboard
CB1972568 ChemicalBook
CHEMBL93334 ChEMBL
13733363 eMolecules
The data in this table is sourced from UniChem at EBI.