Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C11H12N2O3/c1-15-10-4-6-3-9(11(14)16-2)13-8(6)5-7(10)12/h3-5,13H,12H2,1-2H3
SMILES	COC(=O)c1[nH]c2c(c1)cc(c(c2)N)OC
InChI Key	NUEAMEKYUIPKTC-UHFFFAOYSA-N
Molecular Formula	C11H12N2O3
Exact Mass	220.225 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NUEAMEKYUIPKTC-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/NUEAMEKYUIPKTC-UHFFFAOYSA-N/CHMO0000498
Version
Author	Lena J. Daumann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:52:16.826671
MetadataModified	2024-09-07T23:42:06.770480
MetadataPublished	2022-11-02

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
13917041	PubChem
ZINC000034187339	ZINC
SCHEMBL8355371	SureChEMBL
The data in this table is sourced from UniChem at EBI.