Dataset

mass spectrometry (MS) (5-methyl-6-oxo-1H-pyrazine-2,3-dicarbonitrile)

dataset for mass spectrometry (MS)

Chemical Info

molecular Image
InChI InChI=1S/C7H4N4O/c1-4-7(12)11-6(3-9)5(2-8)10-4/h1H3,(H,11,12)
SMILES Cc1nc(C#N)c(C#N)nc1O
InChI Key GWQUFNJIVJLZRO-UHFFFAOYSA-N
Molecular Formula C7H4N4O
Exact Mass 160.136 g/mol

Data and Resources

Related Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source
Version
Author Westeel, Arnaud, Larignon, Victor
Maintainer chemotion-repository
Language en
Measurement Technique IRI
MetadataCreated 2023-11-05T03:02:49.030528
MetadataModified 2023-11-05T03:02:49.030534
MetadataPublished
Field Value
Measurement Technique
Measurement Variables