Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H10N2O2/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(16)8-4-10/h1-8,15-16H/b14-13+
SMILES	Oc1ccc(cc1)/N=N/c1ccc(cc1)O
InChI Key	WKODVHZBYIBMOC-BUHFOSPRSA-N
Molecular Formula	C12H10N2O2
Exact Mass	214.220 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WKODVHZBYIBMOC-BUHFOSPRSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/WKODVHZBYIBMOC-BUHFOSPRSA-N/Mass
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:55:30.361937
MetadataModified	2024-09-07T14:51:07.665314
MetadataPublished	2019-03-25

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000012428972	ZINC
F4YLC7I7DN	FDA SRS
16558006	PubChem: Thomson Pharma
2050-16-0	ACToR
SCHEMBL901189	SureChEMBL
CHEMBL116175	ChEMBL
CB51385596	ChemicalBook
J7.865D	Nikkaji
LACBUO	CCDC
The data in this table is sourced from UniChem at EBI.