Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H14N2O/c1-12(2,3)10-11(15)14-9-7-5-4-6-8(9)13-10/h4-7H,1-3H3,(H,14,15)
SMILES	O=c1[nH]c2ccccc2nc1C(C)(C)C
InChI Key	JLKJMBAGVSNLRT-UHFFFAOYSA-N
Molecular Formula	C12H14N2O
Exact Mass	202.252 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JLKJMBAGVSNLRT-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/JLKJMBAGVSNLRT-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Victor Larignon
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:57:08.892083
MetadataModified	2024-09-07T22:29:02.447737
MetadataPublished	2022-07-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
23366188	PubChem
SCHEMBL2608419	SureChEMBL
The data in this table is sourced from UniChem at EBI.