Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C16H10N6O4/c17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18/h1-8H,(H,23,24)(H,25,26)/b2-1+
SMILES	[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)O)C(=O)O
InChI Key	GPMRCRXJSWELFY-OWOJBTEDSA-N
Molecular Formula	C16H10N6O4
Exact Mass	350.288 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GPMRCRXJSWELFY-OWOJBTEDSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/GPMRCRXJSWELFY-OWOJBTEDSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:34:50.045061
MetadataModified	2024-09-07T18:31:38.121586
MetadataPublished	2020-08-08

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL17554276	SureChEMBL
118913609	PubChem
J3.599.433E	Nikkaji
The data in this table is sourced from UniChem at EBI.