Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H9N3O/c1-6(13)10-9-7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H2,10,11,12,13)
SMILES	CC(=O)Nc1n[nH]c2c1cccc2
InChI Key	VCFLLXDSOODEGV-UHFFFAOYSA-N
Molecular Formula	C9H9N3O
Exact Mass	175.187 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VCFLLXDSOODEGV-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/VCFLLXDSOODEGV-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:16:55.653827
MetadataModified	2024-09-07T18:07:13.459483
MetadataPublished	2020-05-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J786.070F	Nikkaji
SCHEMBL628880	SureChEMBL
12913048	PubChem
The data in this table is sourced from UniChem at EBI.