Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H13NO4/c1-8-9(11(12)13)4-3-5-10(8)15-7-6-14-2/h3-5H,6-7H2,1-2H3
SMILES	[O-][N+](=O)c1cccc(c1C)OCCOC
InChI Key	HSCLQTQXXWDUNC-UHFFFAOYSA-N
Molecular Formula	C10H13NO4
Exact Mass	211.215 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HSCLQTQXXWDUNC-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HSCLQTQXXWDUNC-UHFFFAOYSA-N/CHMO0000470
Version
Author	Niklas Krappel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:13:42.866915
MetadataModified	2024-09-08T01:13:42.866920
MetadataPublished	2023-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
60451860	PubChem
MCULE-1837420752	Mcule
The data in this table is sourced from UniChem at EBI.