Dataset

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

This MassBank record with Accession MSBNK-Waters-WA000423 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-WA000423
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
    50404252 BindingDB
    CUYDOQ CCDC
    J261.930J Nikkaji
    869 DrugCentral
    DTXSID6022927 EPA CompTox Dashboard
    MCULE-2844514954 Mcule
    HY-B0249 MedChemExpress
    NSC-612049 clinicaltrials
    DIDANOSINE clinicaltrials
    BMY-40900 clinicaltrials
    VIDEX EC rxnorm
    DIDANOSINE rxnorm
    VIDEX rxnorm
    DIDANOSINE DailyMed
    4833 Guide to Pharmacology
    1813 Brenda
    K3GDH6OH08 FDA SRS
    135398739 PubChem
    HMDB0015037 Human Metabolome Database
    490877 ChEBI
    CHEMBL1460 ChEMBL
    SAM001246673 NIH Clinical Collection
    12014245 PubChem: Drugs of the Future
    2DI PDBe
    C06953 KEGG Ligand
    DB00900 DrugBank
    51621 Brenda
    CB0680765 ChemicalBook
    PA449301 PharmGKB
    124179 Brenda
    14441 Brenda
    didanosine DailyMed
    ZINC000013597823 ZINC
    148764 Brenda
    15196316 PubChem: Thomson Pharma
    PD003179 ProbesDrugs
    LSM-6017 LINCS
    69655-05-6 ACToR
    14847321 PubChem: Thomson Pharma
    Didanosine(Videx) Selleck
    15121787 PubChem: Thomson Pharma
    15121788 PubChem: Thomson Pharma
    SCHEMBL3363 SureChEMBL
    901757 eMolecules
    1986517 eMolecules
    2724662 eMolecules
    30075948 eMolecules
    The data in this table is sourced from UniChem at EBI.