Dataset

Valaciclovir

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

Chemical Info

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
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:27:26.372529
MetadataModified 2025-02-09T09:27:26.566505
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1619309 ChEMBL
HMDB0259521 Human Metabolome Database
J480.130J Nikkaji
135483437 PubChem
SCHEMBL4295083 SureChEMBL
PD074812 ProbesDrugs
The data in this table is sourced from UniChem at EBI.