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