Dataset

Cytidine; LC-ESI-ITFT; MS2; CE: 100; [M+H]+

This MassBank record with Accession MSBNK-mFam-MC20_001392 contains the MS2 mass spectrum of Cytidine with the InChIkey UHDGCWIWMRVCDJ-XVFCMESISA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
SMILES NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Key UHDGCWIWMRVCDJ-XVFCMESISA-N
Molecular Formula C9H13N3O5
Exact Mass 243.086 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-mFam-MC20_001392
Version
Author
Maintainer
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MetadataPublished 2023-03-09
Related Molecule
  • 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02097 drugbank
    CHEBI:17562 chebi
    CTN rcsb_pdb
    CHEMBL95606 chembl
    24781031 surechembl
    31146639 surechembl
    7179 surechembl
    8525830 surechembl
    6175 pubchem
    5CSZ8459RP fdasrs
    PD012166 probes_and_drugs
    CYTIDI CCDC
    372 brenda
    CTN pdbe
    HMDB0000089 hmdb
    DTXSID60891552 comptox
    NCT00854737 clinicaltrials
    NCT01543139 clinicaltrials
    NCT01543139 clinicaltrials
    NCT02625779 clinicaltrials
    NCT05536596 clinicaltrials
    Molport-000-716-085 molport
    The data in this table is sourced from UniChem at EBI.