Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H11N3/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,(H2,15,17)
SMILES	Nc1nc2ccccc2nc1c1ccccc1
InChI Key	ABTZHDQWMUXIFW-UHFFFAOYSA-N
Molecular Formula	C14H11N3
Exact Mass	221.257 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/ABTZHDQWMUXIFW-UHFFFAOYSA-N/CHMO0000470.4
License URL
Source	https://www.chemotion-repository.net/inchikey/ABTZHDQWMUXIFW-UHFFFAOYSA-N/CHMO0000470.4
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:12:24.871356
MetadataModified	2024-09-07T21:52:56.452009
MetadataPublished	2022-02-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000003133978	ZINC
J1.418.740E	Nikkaji
12231766	PubChem
SCHEMBL384076	SureChEMBL
The data in this table is sourced from UniChem at EBI.