Dataset

Didanosine; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA000422 contains the MS mass spectrum of Didanosine with the InChIkey BXZVVICBKDXVGW-NKWVEPMBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
SMILES OCC(C3)OC(C3)n(c2)c(n1)c(n2)c(O)nc1
InChI Key BXZVVICBKDXVGW-NKWVEPMBSA-N
Molecular Formula C10H12N4O3
Exact Mass 236.091 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000422
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00900 drugbank
    CHEBI:490877 chebi
    2DI rcsb_pdb
    CHEMBL1460 chembl
    29387997 surechembl
    3363 surechembl
    3364 surechembl
    3365 surechembl
    135398739 pubchem
    K3GDH6OH08 fdasrs
    PD003179 probes_and_drugs
    CUYDOQ CCDC
    124179 brenda
    14441 brenda
    148764 brenda
    1813 brenda
    186532 brenda
    51621 brenda
    HMDB0015037 hmdb
    50025603 bindingdb
    50025605 bindingdb
    50386017 bindingdb
    50773410 bindingdb
    50774448 bindingdb
    50776803 bindingdb
    50776926 bindingdb
    Molport-002-507-371 molport
    Molport-003-846-628 molport
    Molport-006-167-656 molport
    869 drugcentral
    The data in this table is sourced from UniChem at EBI.