Dataset

Kynurenine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81551 contains the MS mass spectrum of Kynurenine with the InChIkey YGPSJZOEDVAXAB-UHFFFAOYSA-N.

Chemical Info

molecular Image
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)
SMILES C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N
InChI Key YGPSJZOEDVAXAB-UHFFFAOYSA-N
Molecular Formula C10H12N2O3
Exact Mass 208.085 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81551
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:11.970491
MetadataModified 2024-01-11T22:27:12.135584
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
28683 ChEBI
C01718 KEGG Ligand
CHEMBL1377927 ChEMBL
524685 eMolecules
MCULE-6365994952 Mcule
HY-W014504 MedChemExpress
298M20B2AU FDA SRS
207738 Brenda
CB5235360 ChemicalBook
MTBLC28683 Metabolights
25245862 PubChem
846 PubChem
60023507 NMRShiftDB
PD001537 ProbesDrugs
15389952 PubChem: Thomson Pharma
3039-10-9 ACToR
2126-91-2 ACToR
343-65-7 ACToR
SCHEMBL20874 SureChEMBL
J5.688J Nikkaji
HMDB0250769 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.