Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H10FNS/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,1H3
SMILES Fc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key PQNMDYKEGIJCTR-UHFFFAOYSA-N
Molecular Formula C14H10FNS
Exact Mass 243.299 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PQNMDYKEGIJCTR-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/PQNMDYKEGIJCTR-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:33:26.370907
MetadataModified 2024-09-07T17:08:22.456396
MetadataPublished 2020-02-28
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000040848194 ZINC
50479543 BindingDB
57585560 PubChem: Thomson Pharma
25233596 PubChem
CHEMBL510384 ChEMBL
The data in this table is sourced from UniChem at EBI.