Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H11N3O/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12-14/h2-8H,1H3,(H,13,15)
SMILES	CC(=O)Nc1cccc(c1)n1cccn1
InChI Key	PATDCDMTBXBBGP-UHFFFAOYSA-N
Molecular Formula	C11H11N3O
Exact Mass	201.225 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PATDCDMTBXBBGP-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/PATDCDMTBXBBGP-UHFFFAOYSA-N/Mass
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:40:22.426320
MetadataModified	2024-09-07T14:29:45.473751
MetadataPublished	2018-06-25

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
40163603	PubChem
MCULE-6376740181	Mcule
The data in this table is sourced from UniChem at EBI.