Dataset

Sucrose; GC-EI-TOF; MS; n TMS; RT:977.543 sec

This MassBank record with Accession MSBNK-Osaka_Univ-OUF00467 contains the MS mass spectrum of Sucrose with the InChIkey CZMRCDWAGMRECN-UGDNZRGBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@](CO)(O2)[C@@H](O)[C@H](O)[C@@H](CO)2
InChI Key CZMRCDWAGMRECN-UGDNZRGBSA-N
Molecular Formula C12H22O11
Exact Mass 342.116 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-Osaka_Univ-OUF00467
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02772 drugbank
    CHEBI:17992 chebi
    CHEBI:65313 chebi
    SUC rcsb_pdb
    CHEMBL253582 chembl
    1005 surechembl
    5988 pubchem
    C151H8M554 fdasrs
    PD046201 probes_and_drugs
    MELKIA CCDC
    124788 brenda
    152650 brenda
    15973 brenda
    20931 brenda
    211271 brenda
    212424 brenda
    266353 brenda
    31914 brenda
    47829 brenda
    55 brenda
    75951 brenda
    HMDB0000258 hmdb
    Molport-003-926-939 molport
    4610 drugcentral
    50108105 bindingdb
    The data in this table is sourced from UniChem at EBI.