Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H8FNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
SMILES Fc1ccc(cc1)c1nc2c(s1)cccc2
InChI Key MWIDLEVLPMTJDU-UHFFFAOYSA-N
Molecular Formula C13H8FNS
Exact Mass 229.273 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MWIDLEVLPMTJDU-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/MWIDLEVLPMTJDU-UHFFFAOYSA-N/CHMO0000470.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:38:52.827020
MetadataModified 2024-09-07T17:15:40.161715
MetadataPublished 2020-02-28
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1908905 ChEMBL
1629-26-1 ACToR
1830780 eMolecules
16192543 PubChem: Thomson Pharma
SCHEMBL562905 SureChEMBL
242879 PubChem
MCULE-3690427086 Mcule
ZINC000000507650 ZINC
J1.834.640K Nikkaji
DTXSID20287634 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.