Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H13N3O/c1-9-6-7-15(14-9)12-5-3-4-11(8-12)13-10(2)16/h3-8H,1-2H3,(H,13,16)
SMILES	CC(=O)Nc1cccc(c1)n1ccc(n1)C
InChI Key	VLGVYPIEJBSDAS-UHFFFAOYSA-N
Molecular Formula	C12H13N3O
Exact Mass	215.251 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/VLGVYPIEJBSDAS-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/VLGVYPIEJBSDAS-UHFFFAOYSA-N/Mass
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:42:00.509322
MetadataModified	2024-09-07T14:32:10.509120
MetadataPublished	2018-09-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
134812849	PubChem
The data in this table is sourced from UniChem at EBI.