Dataset

mass spectrometry (MS) ()

dataset for mass spectrometry (MS)

Chemical Info

molecular Image
InChI InChI=1S/C23H17N7O2/c1-15-6-8-16(9-7-15)11-28-12-17(10-24)21(26-28)30-14-18(25-27-30)13-29-22(31)19-4-2-3-5-20(19)23(29)32/h2-9,12,14H,11,13H2,1H3
SMILES Cc1ccc(Cn2cc(C#N)c(-n3cc(CN4C(=O)c5ccccc5C4=O)nn3)n2)cc1
InChI Key FODYZQGXSSTMHJ-UHFFFAOYSA-N
Molecular Formula C23H17N7O2

Data and Resources

Related Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source
Version
Author Gräßle, Simone, Wippert, Nicolai
Maintainer chemotion-repository
Language en
MetadataCreated 2024-02-18T03:32:27.935191
MetadataModified 2024-02-18T03:32:27.935196
MetadataPublished
Field Value
Measurement Technique
Measurement Variables