Dataset

Cyclocytidine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00423 contains the MS2 mass spectrum of Cyclocytidine with the InChIkey BBDAGFIXKZCXAH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2
SMILES C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N
InChI Key BBDAGFIXKZCXAH-UHFFFAOYSA-N
Molecular Formula C9H11N3O4
Exact Mass 225.075 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-BML00423
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1616063 chembl
    8709 surechembl
    PD065496 probes_and_drugs
    HMDB0243629 hmdb
    The data in this table is sourced from UniChem at EBI.