Dataset

Valaciclovir; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01100303 contains the MS2 mass spectrum of Valaciclovir with the InChIkey HDOVUKNUBWVHOX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)
SMILES CC(C)C(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N
InChI Key HDOVUKNUBWVHOX-UHFFFAOYSA-N
Molecular Formula C13H20N6O4
Exact Mass 324.155 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-EQ01100303
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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
  • 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-amino-3-methylbutanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1619309 chembl
    13575743 surechembl
    13604679 surechembl
    4295083 surechembl
    135483437 pubchem
    4824 gtopdb
    PD074812 probes_and_drugs
    HMDB0259521 hmdb
    The data in this table is sourced from UniChem at EBI.