Dataset

Ganciclovir; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01101954 contains the MS2 mass spectrum of Ganciclovir with the InChIkey IRSCQMHQWWYFCW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
SMILES C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N
InChI Key IRSCQMHQWWYFCW-UHFFFAOYSA-N
Molecular Formula C9H13N5O4
Exact Mass 255.097 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-Eawag-EQ01101954
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MetadataPublished 2024-06-14
Related Molecule
  • 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01004 drugbank
    GA2 rcsb_pdb
    CHEMBL182 chembl
    14491348 surechembl
    3033 surechembl
    3034 surechembl
    135398740 pubchem
    P9G3CKZ4P5 fdasrs
    PD002768 probes_and_drugs
    UGIVAI CCDC
    166475 brenda
    209607 brenda
    269307 brenda
    2899 brenda
    GA2 - Ideal conformer pdbe
    CHEBI:465284 chebi
    HMDB0015139 hmdb
    Molport-000-758-398 molport
    Molport-002-507-301 molport
    Molport-006-167-681 molport
    1277 drugcentral
    50237614 bindingdb
    85707 bindingdb
    The data in this table is sourced from UniChem at EBI.