Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C6H4N2O3/c9-7-5-1-3-6(4-2-5)8(10)11/h1-4H
SMILES	O=Nc1ccc(cc1)[N+](=O)[O-]
InChI Key	IDZTUECABAHWLE-UHFFFAOYSA-N
Molecular Formula	C6H4N2O3
Exact Mass	152.108 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/IDZTUECABAHWLE-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/IDZTUECABAHWLE-UHFFFAOYSA-N/Mass
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:59:52.269014
MetadataModified	2024-09-07T14:57:37.458126
MetadataPublished	2019-04-09

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
643547	PubChem
USAXOC	CCDC
DTXSID90196320	EPA CompTox Dashboard
15946661	PubChem: Thomson Pharma
4485-08-9	ACToR
SCHEMBL4365351	SureChEMBL
20049669	NMRShiftDB
The data in this table is sourced from UniChem at EBI.