Dataset

Lauric acid

This MassBank record with Accession MSBNK-Osaka_Univ-OUF00300 contains the MS mass spectrum of Lauric acid with the InChIkey POULHZVOKOAJMA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
SMILES CCCCCCCCCCCC(O)=O
InChI Key POULHZVOKOAJMA-UHFFFAOYSA-N
Molecular Formula C12H24O2
Exact Mass 200.178 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-Osaka_Univ-OUF00300
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MetadataPublished 2016-01-19
Related Molecule
  • dodecanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    LAURIC ACID rxnorm
    CB4166931 ChemicalBook
    HY-Y0366 MedChemExpress
    912 Brenda
    DTXSID5021590 EPA CompTox Dashboard
    LAURAC CCDC
    4642 DrugCentral
    ZINC000001529498 ZINC
    5534 Guide to Pharmacology
    J2.548H Nikkaji
    LMFA01010012 LipidMaps
    3893 PubChem
    C02679 KEGG Ligand
    DB03017 DrugBank
    CHEMBL108766 ChEMBL
    30805 ChEBI
    DAO PDBe
    10008731 NMRShiftDB
    SCHEMBL5895 SureChEMBL
    MCULE-2795129925 Mcule
    CB0357278 ChemicalBook
    50180948 BindingDB
    2019 Brenda
    2737 Brenda
    HMDB0000638 Human Metabolome Database
    137270 Brenda
    MTBLC30805 Metabolights
    959 Brenda
    495322 eMolecules
    15195524 PubChem: Thomson Pharma
    PD020396 ProbesDrugs
    143-07-7 ACToR
    1160N9NU9U FDA SRS
    The data in this table is sourced from UniChem at EBI.