Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H14N2O4/c23-19(24)14-8-6-13(7-9-14)17-11-10-15(20(25)26)12-18(17)22-21-16-4-2-1-3-5-16/h1-12H,(H,23,24)(H,25,26)/b22-21+
SMILES	OC(=O)c1ccc(c(c1)/N=N/c1ccccc1)c1ccc(cc1)C(=O)O
InChI Key	CBNSSMKTUIDBLQ-QURGRASLSA-N
Molecular Formula	C20H14N2O4
Exact Mass	346.336 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/CBNSSMKTUIDBLQ-QURGRASLSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/CBNSSMKTUIDBLQ-QURGRASLSA-N/Mass
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:00:52.708182
MetadataModified	2024-09-07T14:58:47.765482
MetadataPublished	2019-04-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.416.548C	Nikkaji
The data in this table is sourced from UniChem at EBI.