Dataset

Methyl laurate; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU508101 contains the MS2 mass spectrum of Methyl laurate with the InChIkey UQDUPQYQJKYHQI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
SMILES CCCCCCCCCCCC(=O)OC
InChI Key UQDUPQYQJKYHQI-UHFFFAOYSA-N
Molecular Formula C13H26O2
Exact Mass 214.193 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU508101
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Maintainer
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MetadataPublished 2021-04-20
Related Molecule
  • methyl dodecanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1894365 ChEMBL
    J374C Nikkaji
    BIPKIX CCDC
    ZINC000001680661 ZINC
    DTXSID5026889 EPA CompTox Dashboard
    LAURIC ACID METHYL ESTER rxnorm
    87494 ChEBI
    MCULE-5588995078 Mcule
    LMFA07010463 LipidMaps
    CB6274029 ChemicalBook
    SCHEMBL38030 SureChEMBL
    HMDB0031018 Human Metabolome Database
    163420 Brenda
    MTBLC87494 Metabolights
    34407 Brenda
    60033771 NMRShiftDB
    PD043858 ProbesDrugs
    8IPS6BI6KW FDA SRS
    111-82-0 ACToR
    14770005 PubChem: Thomson Pharma
    8139 PubChem
    490537 eMolecules
    The data in this table is sourced from UniChem at EBI.