Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H15N3O/c1-9-8-10(2)16(15-9)13-6-4-12(5-7-13)14-11(3)17/h4-8H,1-3H3,(H,14,17)
SMILES	CC(=O)Nc1ccc(cc1)n1nc(cc1C)C
InChI Key	MKGJUOKAGPZUBB-UHFFFAOYSA-N
Molecular Formula	C13H15N3O
Exact Mass	229.278 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/MKGJUOKAGPZUBB-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/MKGJUOKAGPZUBB-UHFFFAOYSA-N/Mass
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:42:09.991976
MetadataModified	2024-09-07T14:32:23.494938
MetadataPublished	2018-09-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL7239690	SureChEMBL
18677135	PubChem
The data in this table is sourced from UniChem at EBI.