Dataset

Acyclovir; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01151453 contains the MS2 mass spectrum of Acyclovir with the InChIkey MKUXAQIIEYXACX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
SMILES C1=NC2=C(N1COCCO)N=C(NC2=O)N
InChI Key MKUXAQIIEYXACX-UHFFFAOYSA-N
Molecular Formula C8H11N5O3
Exact Mass 225.086 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-EQ01151453
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MetadataPublished 2024-05-08
Related Molecule
  • 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00787 drugbank
    CHEBI:2453 chebi
    AC2 rcsb_pdb
    CHEMBL184 chembl
    3175 surechembl
    40723 surechembl
    9828560 surechembl
    135398513 pubchem
    X4HES1O11F fdasrs
    4829 gtopdb
    PD000980 probes_and_drugs
    MECWIC CCDC
    153377 brenda
    154360 brenda
    166474 brenda
    173055 brenda
    17698 brenda
    3062 brenda
    4406 brenda
    AC2 - Ideal conformer pdbe
    HMDB0014925 hmdb
    Molport-000-768-994 molport
    Molport-001-889-834 molport
    Molport-003-940-063 molport
    85 drugcentral
    50021776 bindingdb
    50103518 bindingdb
    The data in this table is sourced from UniChem at EBI.