Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C22H16N4/c1-2-4-20(5-3-1)25-26-22-16-19(17-8-12-23-13-9-17)6-7-21(22)18-10-14-24-15-11-18/h1-16H/b26-25+
SMILES n1ccc(cc1)c1ccc(cc1/N=N/c1ccccc1)c1ccncc1
InChI Key FLPICFKQBFDOEY-OCEACIFDSA-N
Molecular Formula C22H16N4
Exact Mass 336.389 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FLPICFKQBFDOEY-OCEACIFDSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/FLPICFKQBFDOEY-OCEACIFDSA-N/Mass
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:58:10.926347
MetadataModified 2024-09-07T14:55:17.742820
MetadataPublished 2019-04-06
Related Molecule
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL22367994 SureChEMBL
J3.487.307K Nikkaji
J3.487.308I Nikkaji
UTUQOS CCDC
The data in this table is sourced from UniChem at EBI.