Dataset

2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO000612 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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO000612
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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
    1334503 bindingdb
    50744022 bindingdb
    51178407 bindingdb
    51178414 bindingdb
    Molport-001-793-068 molport
    Molport-051-762-648 molport
    The data in this table is sourced from UniChem at EBI.