Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C6H7N5O2/c1-2-13-6(12)4-3-8-9-5(4)10-11-7/h3H,2H2,1H3,(H,8,9)
SMILES	[N-]=[N+]=Nc1n[nH]cc1C(=O)OCC
InChI Key	FSJHWJVEYJIYBP-UHFFFAOYSA-N
Molecular Formula	C6H7N5O2
Exact Mass	181.152 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/FSJHWJVEYJIYBP-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FSJHWJVEYJIYBP-UHFFFAOYSA-N/CHMO0000470
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:42:32.226875
MetadataModified	2024-09-07T21:15:56.745851
MetadataPublished	2022-01-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DTXSID90618577	EPA CompTox Dashboard
J1.407.863K	Nikkaji
21829190	PubChem
The data in this table is sourced from UniChem at EBI.