Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H12N2O/c1-2-11(14)13-9-4-3-8-5-6-12-10(8)7-9/h3-7,12H,2H2,1H3,(H,13,14)
SMILES	CCC(=O)Nc1ccc2c(c1)[nH]cc2
InChI Key	JNOAJNPHSRRUCY-UHFFFAOYSA-N
Molecular Formula	C11H12N2O
Exact Mass	188.226 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JNOAJNPHSRRUCY-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JNOAJNPHSRRUCY-UHFFFAOYSA-N/CHMO0000470
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:15:52.565971
MetadataModified	2024-09-08T01:15:52.565976
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
110730788	PubChem
The data in this table is sourced from UniChem at EBI.