Dataset

Kynurenine

This MassBank record with Accession MSBNK-Fiocruz-FIO00638 contains the MS2 mass spectrum of Kynurenine with the InChIkey YGPSJZOEDVAXAB-QMMMGPOBSA-N.

Chemical Info

InChI	InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
SMILES	OC(=O)C(N)CC(=O)c(c1)c(N)ccc1
InChI Key	YGPSJZOEDVAXAB-QMMMGPOBSA-N
Molecular Formula	C10H12N2O3
Exact Mass	208.085 g/mol

Data and Resources

KynurenineHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00638
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:38:13.635030
MetadataModified	2024-01-11T16:38:13.847042
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
539847	eMolecules
C00328	KEGG Ligand
DB02070	DrugBank
KYN	PDBe
57959	ChEBI
16946	ChEBI
CHEMBL498416	ChEMBL
MCULE-9931264693	Mcule
ZINC000000895186	ZINC
50506041	BindingDB
HY-104026	MedChemExpress
57959	Rhea
51735	Brenda
MTBLC57959	Metabolights
MTBLC16946	Metabolights
106641	Brenda
CB6142966	ChemicalBook
2201	Brenda
409	Brenda
HMDB0000684	Human Metabolome Database
2922-83-0	ACToR
Lkynr	Recon
PD008579	ProbesDrugs
161166	PubChem
60020398	NMRShiftDB
16167593	PubChem: Thomson Pharma
SCHEMBL20875	SureChEMBL
6971029	PubChem
02JW4J5R44	FDA SRS
J208.656E	Nikkaji
The data in this table is sourced from UniChem at EBI.