Dataset

Kojic Acid; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

This MassBank record with Accession MSBNK-AAFC-AC000690 contains the MS2 mass spectrum of Kojic Acid with the InChIkey BEJNERDRQOWKJM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
SMILES C1=C(OC=C(C1=O)O)CO
InChI Key BEJNERDRQOWKJM-UHFFFAOYSA-N
Molecular Formula C6H6O4
Exact Mass 142.027 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-AAFC-AC000690
Version
Author
Maintainer
Language
MetadataPublished 2017-07-07
Related Molecule
  • 5-hydroxy-2-(hydroxymethyl)pyran-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    KOJ PDBe
    C14516 KEGG Ligand
    DB01759 DrugBank
    CHEMBL287556 ChEMBL
    HY-W050154 MedChemExpress
    3977 DrugCentral
    J1.564D Nikkaji
    ZZZFMU CCDC
    KOJIC ACID rxnorm
    DTXSID2040236 EPA CompTox Dashboard
    50031467 BindingDB
    43572 ChEBI
    MCULE-1079267668 Mcule
    20182546 NMRShiftDB
    CB7272507 ChemicalBook
    HMDB0032923 Human Metabolome Database
    19357 Brenda
    566 Brenda
    28999 Brenda
    MTBLC43572 Metabolights
    ZINC000013831818 ZINC
    PD001182 ProbesDrugs
    6K23F1TT52 FDA SRS
    123712-78-7 ACToR
    3840 PubChem
    SCHEMBL36895 SureChEMBL
    16080921 PubChem: Thomson Pharma
    501-30-4 ACToR
    524639 eMolecules
    The data in this table is sourced from UniChem at EBI.