Dataset

Ganciclovir

This MassBank record with Accession MSBNK-Eawag-EQ01101953 contains the MS2 mass spectrum of Ganciclovir with the InChIkey IRSCQMHQWWYFCW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
SMILES C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N
InChI Key IRSCQMHQWWYFCW-UHFFFAOYSA-N
Molecular Formula C9H13N5O4
Exact Mass 255.097 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-EQ01101953
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:46:19.450897
MetadataModified 2025-02-09T09:46:19.619552
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ganciclovir DailyMed
209607 Brenda
166475 Brenda
2899 Brenda
HMDB0015139 Human Metabolome Database
CB6203364 ChemicalBook
465284 ChEBI
MCULE-9512761592 Mcule
106931-35-5 ACToR
14749970 PubChem: Thomson Pharma
82410-32-0 ACToR
ganciclovir Selleck
60021391 NMRShiftDB
LSM-5382 LINCS
P9G3CKZ4P5 FDA SRS
14798783 PubChem: Thomson Pharma
16217245 PubChem: Thomson Pharma
SCHEMBL3033 SureChEMBL
PD002768 ProbesDrugs
PA449733 PharmGKB
538661 eMolecules
31410312 eMolecules
DB01004 DrugBank
12013652 PubChem: Drugs of the Future
CHEMBL182 ChEMBL
SAM002548936 NIH Clinical Collection
GA2 PDBe
135398740 PubChem
50237614 BindingDB
CYTOVENE rxnorm
GANCICLOVIR DailyMed
GANCICLOVIR rxnorm
GANCICLOVIR SODIUM rxnorm
CYTOVENE clinicaltrials
RS-21592 clinicaltrials
GANCICLOVIR SODIUM clinicaltrials
ZIRGAN clinicaltrials
VITRASERT clinicaltrials
GANCICLOVIR clinicaltrials
HY-13637 MedChemExpress
DTXSID8041032 EPA CompTox Dashboard
1277 DrugCentral
ZINC000000001505 ZINC
J22.096E Nikkaji
UGIVAI CCDC
85707 BindingDB
ZIRGAN rxnorm
The data in this table is sourced from UniChem at EBI.