Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H13NO6/c1-22-15(18)11-5-3-10(4-6-11)13-8-7-12(16(19)23-2)9-14(13)17(20)21/h3-9H,1-2H3
SMILES	COC(=O)c1ccc(cc1)c1ccc(cc1[N+](=O)[O-])C(=O)OC
InChI Key	KEUDQEINBQSPKI-UHFFFAOYSA-N
Molecular Formula	C16H13NO6
Exact Mass	315.278 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/KEUDQEINBQSPKI-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/KEUDQEINBQSPKI-UHFFFAOYSA-N/Mass
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:07:52.714407
MetadataModified	2024-09-07T15:09:18.532807
MetadataPublished	2019-06-06

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
69163376	PubChem
LIYVIA	CCDC
SCHEMBL4726931	SureChEMBL
The data in this table is sourced from UniChem at EBI.