Dataset

3,4,6-Tri-O-acetyl-D-galactal; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80320 contains the MS mass spectrum of 3,4,6-Tri-O-acetyl-D-galactal with the InChIkey LLPWGHLVUPBSLP-IJLUTSLNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12-/m1/s1
SMILES CC(=O)OC[C@@H]1[C@@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C
InChI Key LLPWGHLVUPBSLP-IJLUTSLNSA-N
Molecular Formula C12H16O7
Exact Mass 272.090 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-Washington_State_Univ-BML80320
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J224.904I Nikkaji
    640125 PubChem
    SCHEMBL78636 SureChEMBL
    J1.102.931K Nikkaji
    119283 Brenda
    MCULE-4409903692 Mcule
    ZINC000001317809 ZINC
    DTXSID50193976 EPA CompTox Dashboard
    CB3664586 ChemicalBook
    511078 eMolecules
    14844562 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.