Dataset

LEVULINIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010606 contains the MS mass spectrum of LEVULINIC ACID with the InChIkey JOOXCMJARBKPKM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
SMILES CC(=O)CCC(O)=O
InChI Key JOOXCMJARBKPKM-UHFFFAOYSA-N
Molecular Formula C5H8O3
Exact Mass 116.047 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010606
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-oxopentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11579 PubChem
    PD008114 ProbesDrugs
    15188728 PubChem: Thomson Pharma
    123-76-2 ACToR
    RYX5QG61EI FDA SRS
    711531 eMolecules
    100859 Brenda
    56601 Brenda
    166631 Brenda
    MTBLC45630 Metabolights
    8266 Brenda
    HMDB0000720 Human Metabolome Database
    CB3213533 ChemicalBook
    50078 Brenda
    45630 ChEBI
    MCULE-1392778065 Mcule
    SCHEMBL20868 SureChEMBL
    10008922 NMRShiftDB
    DB02239 DrugBank
    CHEMBL1235931 ChEMBL
    SHF PDBe
    MAGNESIUM LEVULINATE clinicaltrials
    HY-Y0839 MedChemExpress
    DTXSID8021648 EPA CompTox Dashboard
    LMFA01060006 LipidMaps
    ZINC000000586584 ZINC
    J10.067F Nikkaji
    NIPPEJ CCDC
    82191 BindingDB
    LEVULINIC ACID DailyMed
    LEVULINIC ACID rxnorm
    CALCIUM LEVULINATE rxnorm
    LEVULINIC ACID clinicaltrials
    CALCIUM LAEVULINATE clinicaltrials
    CALCIUM LEVULINATE clinicaltrials
    MAGNESIUM DIASPORAL clinicaltrials
    The data in this table is sourced from UniChem at EBI.