Dataset

5'-Deoxythymidine; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80465 contains the MS mass spectrum of 5'-Deoxythymidine with the InChIkey UGUILUGCFSCUKR-GJMOJQLCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14N2O4/c1-5-4-12(10(15)11-9(5)14)8-3-7(13)6(2)16-8/h4,6-8,13H,3H2,1-2H3,(H,11,14,15)/t6-,7+,8-/m1/s1
SMILES C[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O
InChI Key UGUILUGCFSCUKR-GJMOJQLCSA-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-BML80465
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL465901 chembl
    2056693 surechembl
    65120 pubchem
    PD017683 probes_and_drugs
    Molport-003-930-221 molport
    The data in this table is sourced from UniChem at EBI.