Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H8N2O/c1-7-10(6-13)12-9-5-3-2-4-8(9)11-7/h2-6H,1H3
SMILES	O=Cc1nc2ccccc2nc1C
InChI Key	AZIGGTBMCCWNPW-UHFFFAOYSA-N
Molecular Formula	C10H8N2O
Exact Mass	172.183 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AZIGGTBMCCWNPW-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/AZIGGTBMCCWNPW-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Victor Larignon
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:32:33.306086
MetadataModified	2024-09-07T19:46:20.318876
MetadataPublished	2021-05-19
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL2023434	SureChEMBL
588800	PubChem
MCULE-5774202927	Mcule
DTXSID90343291	EPA CompTox Dashboard
J3.538.496K	Nikkaji
ZINC000000085258	ZINC
3725318	eMolecules
25519-55-5	ACToR
The data in this table is sourced from UniChem at EBI.