Dataset

Thymidine; LC-ESI-QTOF; MS2; 10 V

This MassBank record with Accession MSBNK-BAFG-CSL23111013185 contains the MS2 mass spectrum of Thymidine with the InChIkey IQFYYKKMVGJFEH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)
SMILES OCC1OC(N2C=C(C)C(NC2=O)=O)CC1O
InChI Key IQFYYKKMVGJFEH-UHFFFAOYSA-N
Molecular Formula C10H14N2O5
Exact Mass 242.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111013185
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MetadataPublished 2023-11-10
Related Molecule
  • 1-[4-hydroxy-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
    CHEBI:188725 chebi
    CHEMBL6497 chembl
    19895 surechembl
    1134 pubchem
    4718 gtopdb
    PD011762 probes_and_drugs
    THYMDN CCDC
    HMDB0253921 hmdb
    Molport-001-935-940 molport
    The data in this table is sourced from UniChem at EBI.