Dataset

Acyclovir; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO000140 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 OCCOCn(c2)c(N1)c(n2)C(=O)N=C(N)1
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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO000140
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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 pdbe
    HMDB0014925 hmdb
    DTXSID1022556 comptox
    NCT00158483 clinicaltrials
    NCT00194519 clinicaltrials
    NCT00467662 clinicaltrials
    NCT00469300 clinicaltrials
    NCT00769314 clinicaltrials
    NCT01010698 clinicaltrials
    NCT01281007 clinicaltrials
    NCT01327144 clinicaltrials
    NCT01503918 clinicaltrials
    NCT01574612 clinicaltrials
    NCT02152358 clinicaltrials
    NCT02205489 clinicaltrials
    NCT02265913 clinicaltrials
    NCT02483182 clinicaltrials
    NCT02633332 clinicaltrials
    NCT02871492 clinicaltrials
    NCT03443869 clinicaltrials
    NCT06228430 clinicaltrials
    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.