Dataset

5-Bromo-2'-deoxyuridine; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80460 contains the MS mass spectrum of 5-Bromo-2'-deoxyuridine with the InChIkey WOVKYSAHUYNSMH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)
SMILES C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O
InChI Key WOVKYSAHUYNSMH-UHFFFAOYSA-N
Molecular Formula C9H11BrN2O5
Exact Mass 305.985 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-BML80460
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5-bromo-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-4652902485 Mcule
    50016787 BindingDB
    BROXUR CCDC
    CHEMBL277625 ChEMBL
    236184 PubChem
    SCHEMBL27756 SureChEMBL
    PD074353 ProbesDrugs
    535416 eMolecules
    20202494 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.