Dataset

Sucrose; GC-EI-TOF; MS; 8 TMS; BP:103

This MassBank record with Accession MSBNK-Kazusa-KZ000075 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-Kazusa-KZ000075
Version
Author
Maintainer
Language
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
    C00089 KEGG Ligand
    CHEMBL253582 ChEMBL
    17992 ChEBI
    50108105 BindingDB
    SUCROSE rxnorm
    SUCROSE SYRUP rxnorm
    SUCROSE clinicaltrials
    HY-B1779 MedChemExpress
    SUCROSE DailyMed
    DTXSID2021288 EPA CompTox Dashboard
    4610 DrugCentral
    5411 Guide to Pharmacology
    J4.581K Nikkaji
    MELKIA CCDC
    MCULE-5933491732 Mcule
    SCHEMBL1005 SureChEMBL
    PA451525 PharmGKB
    HMDB0000258 Human Metabolome Database
    47829 Brenda
    124788 Brenda
    152650 Brenda
    MTBLC17992 Metabolights
    211271 Brenda
    15973 Brenda
    31914 Brenda
    20931 Brenda
    75951 Brenda
    55 Brenda
    ZINC000004217475 ZINC
    DB02772 DrugBank
    212424 Brenda
    sucrose DailyMed
    17992 Rhea
    CB4337508 ChemicalBook
    14778069 PubChem: Thomson Pharma
    5988 PubChem
    60018649 NMRShiftDB
    PD046201 ProbesDrugs
    C151H8M554 FDA SRS
    14851568 PubChem: Thomson Pharma
    sucr Recon
    100405-08-1 ACToR
    8027-47-2 ACToR
    25702-74-3 ACToR
    12040-73-2 ACToR
    sucrose Atlas
    29491181 eMolecules
    28206724 eMolecules
    484277 eMolecules
    31265981 eMolecules
    The data in this table is sourced from UniChem at EBI.