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
Version
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Maintainer
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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
    CB7126677 ChemicalBook
    acyclovir DailyMed
    166474 Brenda
    153377 Brenda
    HMDB0014925 Human Metabolome Database
    154360 Brenda
    4406 Brenda
    17698 Brenda
    20025956 NMRShiftDB
    MCULE-2703274259 Mcule
    15220533 PubChem: Thomson Pharma
    PD000980 ProbesDrugs
    X4HES1O11F FDA SRS
    LSM-5459 LINCS
    14773677 PubChem: Thomson Pharma
    59277-89-3 ACToR
    SCHEMBL3175 SureChEMBL
    PA448045 PharmGKB
    Acyclovir(Aciclovir) Selleck
    901331 eMolecules
    29702921 eMolecules
    768732 eMolecules
    12013356 PubChem: Drugs of the Future
    C06810 KEGG Ligand
    AC2 PDBe
    2453 ChEBI
    DB00787 DrugBank
    CHEMBL184 ChEMBL
    ZINC000001530555 ZINC
    15172245 PubChem: Thomson Pharma
    173055 Brenda
    SAM002589967 NIH Clinical Collection
    135398513 PubChem
    SITAVIG rxnorm
    ZOVIRAX rxnorm
    ACYCLOVIR rxnorm
    LYPSYL rxnorm
    ACYCLOVIR SODIUM rxnorm
    ACYCLOVIR clinicaltrials
    ACICLOVIR clinicaltrials
    ACICLOVIR SODIUM clinicaltrials
    BW 248U clinicaltrials
    ACYCLOVIR SODIUM clinicaltrials
    SITAVIG clinicaltrials
    HY-17422 MedChemExpress
    ZOVIRAX clinicaltrials
    3062 Brenda
    DTXSID1022556 EPA CompTox Dashboard
    50103518 BindingDB
    85 DrugCentral
    4829 Guide to Pharmacology
    J11.247J Nikkaji
    MECWIC CCDC
    50021776 BindingDB
    ACYCLOVIR DailyMed
    The data in this table is sourced from UniChem at EBI.