Dataset

3-Hydroxykynurenine

This MassBank record with Accession MSBNK-Fiocruz-FIO00653 contains the MS2 mass spectrum of 3-Hydroxykynurenine with the InChIkey VCKPUUFAIGNJHC-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
SMILES	OC(=O)C(N)CC(=O)c(c1)c(N)c(O)cc1
InChI Key	VCKPUUFAIGNJHC-UHFFFAOYSA-N
Molecular Formula	C10H12N2O4
Exact Mass	224.080 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00653
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:42:59.785145
MetadataModified	2025-02-09T13:04:27.457827
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0000732	Human Metabolome Database
MTBLC1547	Metabolights
25244175	PubChem
PD046007	ProbesDrugs
89	PubChem
3-hydroxy-DL-kynurenine	Atlas
SCHEMBL180582	SureChEMBL
2147-61-7	ACToR
CB61236011	ChemicalBook
15196045	PubChem: Thomson Pharma
606-14-4	ACToR
80004432	NMRShiftDB
539011	eMolecules
CHEMBL442576	ChEMBL
1547	ChEBI
C02794	KEGG Ligand
10834	Brenda
27723548JL	FDA SRS
J16.831I	Nikkaji
CB6237699	ChemicalBook
The data in this table is sourced from UniChem at EBI.