Dataset

2`,3`-di-O-acetyl-5`-deoxy-5-fluorocytidin; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU200204 contains the MS2 mass spectrum of 2,3-di-O-acetyl-5`-deoxy-5-fluorocytidin with the InChIkey NWJBWNIUGNXJGO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)
SMILES CC1OC(C(OC(C)=O)C1OC(C)=O)N1C=C(F)C(N)=NC1=O
InChI Key NWJBWNIUGNXJGO-UHFFFAOYSA-N
Molecular Formula C13H16FN3O6
Exact Mass 329.102 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-Athens_Univ-AU200204
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MetadataPublished 2015-12-06
Related Molecule
  • [4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13126845 surechembl
    19002620 pubchem
    PD220122 probes_and_drugs
    Molport-006-666-374 molport
    The data in this table is sourced from UniChem at EBI.