Dataset

Lumichrome; LC-ESI-QTOF; MS2; 120 V

This MassBank record with Accession MSBNK-BAFG-CSL23111016102 contains the MS2 mass spectrum of Lumichrome with the InChIkey ZJTJUVIJVLLGSP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
SMILES CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3
InChI Key ZJTJUVIJVLLGSP-UHFFFAOYSA-N
Molecular Formula C12H10N4O2
Exact Mass 242.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111016102
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 7,8-dimethyl-10H-benzo[g]pteridine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    17781 ChEBI
    37323 ChEBI
    LUM PDBe
    DB04345 DrugBank
    C01727 KEGG Ligand
    CHEMBL1234101 ChEMBL
    HMDB0254199 Human Metabolome Database
    J9.483H Nikkaji
    FISLID CCDC
    DTXSID70148600 EPA CompTox Dashboard
    477798 eMolecules
    CB2370693 ChemicalBook
    5326566 PubChem
    14847492 PubChem: Thomson Pharma
    16058994 PubChem: Thomson Pharma
    SCHEMBL194906 SureChEMBL
    PD006289 ProbesDrugs
    99U1UDJ2HM FDA SRS
    1086-80-2 ACToR
    60019737 NMRShiftDB
    1971929 eMolecules
    17781 Rhea
    ZINC000012446789 ZINC
    2853 Brenda
    MTBLC37323 Metabolights
    MTBLC17781 Metabolights
    MCULE-5847165177 Mcule
    The data in this table is sourced from UniChem at EBI.