Dataset

2',3'-Dideoxythymidine; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80210 contains the MS mass spectrum of 2',3'-Dideoxythymidine with the InChIkey XKKCQTLDIPIRQD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)
SMILES CC1=CN(C(=O)NC1=O)C2CCC(O2)CO
InChI Key XKKCQTLDIPIRQD-UHFFFAOYSA-N
Molecular Formula C10H14N2O4
Exact Mass 226.095 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-Washington_State_Univ-BML80210
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL23970 ChEMBL
    HMDB0246094 Human Metabolome Database
    5280 PubChem
    16558289 PubChem: Thomson Pharma
    SCHEMBL762579 SureChEMBL
    PD150967 ProbesDrugs
    749330 eMolecules
    8000 Brenda
    The data in this table is sourced from UniChem at EBI.