Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H13N5O2/c1-2-20-13(19)11-9-18(16-12(11)15-17-14)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
SMILES	CCOC(=O)c1cn(nc1N=[N+]=[N-])Cc1ccccc1
InChI Key	KCAXRYJMUFAPLD-UHFFFAOYSA-N
Molecular Formula	C13H13N5O2
Exact Mass	271.275 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KCAXRYJMUFAPLD-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KCAXRYJMUFAPLD-UHFFFAOYSA-N/CHMO0000470
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:01:47.594505
MetadataModified	2024-09-08T03:01:47.594510
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
150781846	PubChem
The data in this table is sourced from UniChem at EBI.