Dataset

mass spectrometry (MS) ()

Chemical Info

InChI	InChI=1S/C9H8N6O2/c1-6(16)17-5-8-4-15(14-12-8)9-7(2-10)3-11-13-9/h3-4H,5H2,1H3,(H,11,13)
SMILES	CC(=O)OCc1cn(-c2n[nH]cc2C#N)nn1
InChI Key	QROBBVJEUOFHFJ-UHFFFAOYSA-N
Molecular Formula	C9H8N6O2

Data and Resources

• mass spectrometry (MS) ()HTML
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• chemistry
• mass-spectrometry

Related Resources

• This dataset related as IsPartOf to https://dx.doi.org/10.14272/QROBBVJEUOFHFJ-UHFFFAOYSA-N.1

Metadata Information

• Additional
• Measurement

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	2024-02-18T03:18:26.986369
MetadataModified	2024-02-18T03:18:26.986374
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables