Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H11FN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3
SMILES Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C
InChI Key WLMPCCSMVOBMIN-UHFFFAOYSA-N
Molecular Formula C14H11FN2
Exact Mass 226.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WLMPCCSMVOBMIN-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/WLMPCCSMVOBMIN-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:33:13.674962
MetadataModified 2024-09-08T00:32:45.272407
MetadataPublished 2023-03-03
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000153302 ZINC
50087866 PubChem: Thomson Pharma
SCHEMBL1691890 SureChEMBL
MCULE-1917318162 Mcule
735806 PubChem
1427324 eMolecules
The data in this table is sourced from UniChem at EBI.