Dataset

mass spectrometry (MS) ()

dataset for mass spectrometry (MS)

Chemical Info

molecular Image
InChI InChI=1S/C15H11FN6O2/c1-24-15(23)13-9-22(20-18-13)14-11(6-17)8-21(19-14)7-10-2-4-12(16)5-3-10/h2-5,8-9H,7H2,1H3
SMILES COC(=O)c1cn(-c2nn(Cc3ccc(F)cc3)cc2C#N)nn1
InChI Key UUNQVGVZWMJXOZ-UHFFFAOYSA-N
Molecular Formula C15H11FN6O2

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 2024-02-18T03:53:25.801479
MetadataModified 2024-02-18T03:53:25.801483
MetadataPublished
Field Value
Measurement Technique
Measurement Variables