Dataset

B-D-GLUCOSE PENTAACETATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011490 contains the MS mass spectrum of B-D-GLUCOSE PENTAACETATE with the InChIkey LPTITAGPBXDDGR-IBEHDNSVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1
SMILES CC(=O)OCC(O1)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)1
InChI Key LPTITAGPBXDDGR-IBEHDNSVSA-N
Molecular Formula C16H22O11
Exact Mass 390.116 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP011490
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2724702 PubChem
    70003491 NMRShiftDB
    15173898 PubChem: Thomson Pharma
    V833P95COC FDA SRS
    SCHEMBL153070 SureChEMBL
    PD121052 ProbesDrugs
    29781433 eMolecules
    714044 eMolecules
    HMDB0034223 Human Metabolome Database
    ZINC000004262101 ZINC
    CHEMBL438446 ChEMBL
    MCULE-9382594417 Mcule
    177390 ChEBI
    HY-22306 MedChemExpress
    J14.175E Nikkaji
    ZZZQPG CCDC
    CB4217013 ChemicalBook
    The data in this table is sourced from UniChem at EBI.