Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C12H5N3O3/c13-15-14-9-5-4-8-10-6(9)2-1-3-7(10)11(16)18-12(8)17/h1-5H
SMILES	[N-]=[N+]=Nc1ccc2c3c1cccc3C(=O)OC2=O
InChI Key	VXXDYRNSKMTVCE-UHFFFAOYSA-N
Molecular Formula	C12H5N3O3
Exact Mass	239.186 g/mol

Data and Resources

• electron ionisation mass spectrometry (EI-MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VXXDYRNSKMTVCE-UHFFFAOYSA-N/Mass/EI.1
License URL
Source	https://www.chemotion-repository.net/inchikey/VXXDYRNSKMTVCE-UHFFFAOYSA-N/Mass/EI.1
Version
Author	Irina Protasova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:23:22.153566
MetadataModified	2024-09-07T13:50:43.541166
MetadataPublished	2014-08-29

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
52915401	PubChem
123051608	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.