Dataset

Octyl beta-D-glucopyranoside; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00375252 contains the MS2 mass spectrum of Octyl beta-D-glucopyranoside with the InChIkey HEGSGKPQLMEBJL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3
SMILES CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChI Key HEGSGKPQLMEBJL-UHFFFAOYSA-N
Molecular Formula C14H28O6
Exact Mass 292.189 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-Eawag-EQ00375252
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MetadataPublished 2024-06-14
Related Molecule
  • 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL12207622 SureChEMBL
    70120178 NMRShiftDB
    4742-80-7 ACToR
    PD036563 ProbesDrugs
    1972238 eMolecules
    MCULE-2019552419 Mcule
    HMDB0245753 Human Metabolome Database
    DTXSID50338305 EPA CompTox Dashboard
    548230 PubChem
    The data in this table is sourced from UniChem at EBI.