Dataset

Thymidine; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82261 contains the MS 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 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
InChI Key IQFYYKKMVGJFEH-UHFFFAOYSA-N
Molecular Formula C10H14N2O5
Exact Mass 242.090 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-BML82261
Version
Author
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MetadataPublished 2016-01-19
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
    CHEMBL6497 ChEMBL
    THYMDN CCDC
    HMDB0253921 Human Metabolome Database
    J2.569.651D Nikkaji
    1134 PubChem
    188725 ChEBI
    85242739 PubChem: Thomson Pharma
    16053-52-4 ACToR
    PD011762 ProbesDrugs
    594813 eMolecules
    29549780 eMolecules
    10016347 NMRShiftDB
    MCULE-3606109379 Mcule
    SCHEMBL19895 SureChEMBL
    The data in this table is sourced from UniChem at EBI.