Dataset

1,2-dioctanoyl-sn-glycerol; LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H2O+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103912_A098 contains the MS2 mass spectrum of 1,2-dioctanoyl-sn-glycerol with the InChIkey ZQBULZYTDGUSSK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3
SMILES CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC
InChI Key ZQBULZYTDGUSSK-UHFFFAOYSA-N
Molecular Formula C19H36O5
Exact Mass 344.256 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-Antwerp_Univ-METOX_N103912_A098
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MetadataPublished 2022-04-08
Related Molecule
  • (3-hydroxy-2-octanoyloxypropyl) octanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL24609 ChEMBL
    SA9937IP23 FDA SRS
    J118.318D Nikkaji
    HMDB0244086 Human Metabolome Database
    1323 PubChem
    15422490 PubChem: Thomson Pharma
    1069-87-0 ACToR
    PD069244 ProbesDrugs
    1984424 eMolecules
    SCHEMBL825310 SureChEMBL
    120865 Brenda
    102008 Brenda
    112153 Brenda
    50367 Brenda
    141489 Brenda
    The data in this table is sourced from UniChem at EBI.