Dataset

DEOXYGUANOSINE; LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101101_EF88 contains the MS2 mass spectrum of DEOXYGUANOSINE with the InChIkey YKBGVTZYEHREMT-KVQBGUIXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
SMILES NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1
InChI Key YKBGVTZYEHREMT-KVQBGUIXSA-N
Molecular Formula C10H13N5O4
Exact Mass 267.097 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-Antwerp_Univ-METOX_P101101_EF88
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MetadataPublished 2021-12-23
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    MCULE-5458121764 Mcule
    15197244 PubChem: Thomson Pharma
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    60021035 NMRShiftDB
    L1J PDBe
    PD012291 ProbesDrugs
    16277956 PubChem: Thomson Pharma
    dgsn Recon
    116002-28-9 ACToR
    38559-49-8 ACToR
    SCHEMBL20615 SureChEMBL
    G9481N71RO FDA SRS
    12763580 eMolecules
    713372 eMolecules
    29479685 eMolecules
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    135398592 PubChem
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    ZINC000000404256 ZINC
    50422404 BindingDB
    HY-17563 MedChemExpress
    SCHEMBL21795388 SureChEMBL
    J13.863K Nikkaji
    DIWPOS CCDC
    CB7209020 ChemicalBook
    C00330 KEGG Ligand
    CHEMBL68908 ChEMBL
    17172 ChEBI
    GNG PDBe
    The data in this table is sourced from UniChem at EBI.