Dataset

2`,3`-di-O-acetyl-5`-deoxy-5-fluorocytidin

This MassBank record with Accession MSBNK-Athens_Univ-AU200201 contains the MS2 mass spectrum of 2,3-di-O-acetyl-5`-deoxy-5-fluorocytidin with the InChIkey NWJBWNIUGNXJGO-UHFFFAOYSA-N.

Chemical Info

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-AU200201
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:09:06.786425
MetadataModified 2025-02-08T19:13:24.628195
MetadataPublished 2015-12-06
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
36752773 eMolecules
SCHEMBL13126845 SureChEMBL
19002620 PubChem
The data in this table is sourced from UniChem at EBI.