Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H12N6O4/c17-21-19-7-11-5-9(15(23)24)1-3-13(11)14-4-2-10(16(25)26)6-12(14)8-20-22-18/h1-6H,7-8H2,(H,23,24)(H,25,26)
SMILES	[N-]=[N+]=NCc1cc(ccc1c1ccc(cc1CN=[N+]=[N-])C(=O)O)C(=O)O
InChI Key	WKYWOPSOJFXJNJ-UHFFFAOYSA-N
Molecular Formula	C16H12N6O4
Exact Mass	352.304 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WKYWOPSOJFXJNJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WKYWOPSOJFXJNJ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:27:38.547389
MetadataModified	2024-09-07T18:22:08.371763
MetadataPublished	2020-08-05

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
102053260	PubChem
SCHEMBL18624972	SureChEMBL
J2.891.636A	Nikkaji
The data in this table is sourced from UniChem at EBI.