Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H9NO6/c16-13(17)9-3-1-8(2-4-9)11-6-5-10(14(18)19)7-12(11)15(20)21/h1-7H,(H,16,17)(H,18,19)
SMILES	OC(=O)c1ccc(cc1)c1ccc(cc1[N+](=O)[O-])C(=O)O
InChI Key	OTDUJVQMQBNMCD-UHFFFAOYSA-N
Molecular Formula	C14H9NO6
Exact Mass	287.224 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/OTDUJVQMQBNMCD-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OTDUJVQMQBNMCD-UHFFFAOYSA-N/CHMO0000470
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:30:29.597337
MetadataModified	2024-09-07T18:25:49.836203
MetadataPublished	2020-08-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL9557826	SureChEMBL
CB28088998	ChemicalBook
19980719	PubChem
The data in this table is sourced from UniChem at EBI.