Dataset

2'-Deoxycytidine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-

This MassBank record with Accession MSBNK-RIKEN-PR100522 contains the MS2 mass spectrum of 2'-Deoxycytidine with the InChIkey CKTSBUTUHBMZGZ-SHYZEUOFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
SMILES OC[C@@H](O1)[C@@H](O)C[C@@H]1N(C=2)C(=O)N=C(N)C2
InChI Key CKTSBUTUHBMZGZ-SHYZEUOFSA-N
Molecular Formula C9H13N3O4
Exact Mass 227.091 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-RIKEN-PR100522
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MetadataPublished 2016-01-19
Related Molecule
  • 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02594 drugbank
    CHEBI:15698 chebi
    DCZ rcsb_pdb
    CHEMBL66115 chembl
    23178 surechembl
    28042927 surechembl
    13711 pubchem
    0W860991D6 fdasrs
    PD016190 probes_and_drugs
    DXCYTD CCDC
    155254 brenda
    173329 brenda
    179051 brenda
    182178 brenda
    451 brenda
    48264 brenda
    486 brenda
    51612 brenda
    72303 brenda
    HMDB0000014 hmdb
    Molport-001-793-068 molport
    Molport-051-762-648 molport
    50367094 bindingdb
    The data in this table is sourced from UniChem at EBI.