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
Version
Author
Maintainer
Language
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
    72303 Brenda
    CB4452977 ChemicalBook
    HY-D0184 MedChemExpress
    DB02594 DrugBank
    J14.406A Nikkaji
    DXCYTD CCDC
    50367094 BindingDB
    DEOXYCYTIDINE clinicaltrials
    15698 ChEBI
    DCZ PDBe
    CHEMBL66115 ChEMBL
    C00881 KEGG Ligand
    dcyt Recon
    13711 PubChem
    14822821 PubChem: Thomson Pharma
    56905-41-0 ACToR
    207121-53-7 ACToR
    70119663 NMRShiftDB
    PD016190 ProbesDrugs
    0W860991D6 FDA SRS
    14822820 PubChem: Thomson Pharma
    901292 eMolecules
    537205 eMolecules
    DTXSID70883620 EPA CompTox Dashboard
    CB7452978 ChemicalBook
    LSM-45794 LINCS
    15698 Rhea
    48264 Brenda
    173329 Brenda
    HMDB0000014 Human Metabolome Database
    486 Brenda
    451 Brenda
    155254 Brenda
    51612 Brenda
    MTBLC15698 Metabolights
    ZINC000018286013 ZINC
    SCHEMBL23178 SureChEMBL
    MCULE-2040549804 Mcule
    The data in this table is sourced from UniChem at EBI.