Dataset

3-Hydroxykynurenine

This MassBank record with Accession MSBNK-Fiocruz-FIO00656 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-FIO00656
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:40:33.310581
MetadataModified	2024-01-11T16:40:33.480097
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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