Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H9N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9H
SMILES	c1ccc(cc1)c1nc2ccccc2n2c1nnn2
InChI Key	AOUCPYFCRAWRNU-UHFFFAOYSA-N
Molecular Formula	C14H9N5
Exact Mass	247.255 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AOUCPYFCRAWRNU-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AOUCPYFCRAWRNU-UHFFFAOYSA-N/CHMO0000470
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:04:11.379418
MetadataModified	2024-09-07T21:44:16.387948
MetadataPublished	2022-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
399096	PubChem
CHEMBL1973695	ChEMBL
J2.950.302H	Nikkaji
ZINC000000312919	ZINC
The data in this table is sourced from UniChem at EBI.