Dataset

Ofloxacin

This MassBank record with Accession MSBNK-UFZ-UF407503 contains the MS2 mass spectrum of Ofloxacin with the InChIkey GSDSWSVVBLHKDQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
SMILES CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1
InChI Key GSDSWSVVBLHKDQ-UHFFFAOYSA-N
Molecular Formula C18H20FN3O4
Exact Mass 361.144 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF407503
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:57:50.308472
MetadataModified 2025-02-09T19:49:54.022051
MetadataPublished 2017-01-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4583 PubChem
3288597 PubChem
60058706 NMRShiftDB
PD001409 ProbesDrugs
194135 ChEBI
14876840 PubChem: Thomson Pharma
SCHEMBL24373 SureChEMBL
82419-36-1 ACToR
PA450684 PharmGKB
Ofloxacin(Floxin) Selleck
LSM-4370 LINCS
498886 eMolecules
31780819 eMolecules
MCULE-5746531107 Mcule
33876 Brenda
36458 Brenda
HMDB0015296 Human Metabolome Database
ofloxacin DailyMed
CB7103599 ChemicalBook
OFLOXACIN DailyMed
OCUFLOX rxnorm
OFLOXACIN rxnorm
FLOXIN rxnorm
FLOXIN clinicaltrials
HOE 280 clinicaltrials
HOE-280 clinicaltrials
OFLOXACIN clinicaltrials
OCUFLOX clinicaltrials
DL-8280 clinicaltrials
HY-B0125 MedChemExpress
A4P49JAZ9H FDA SRS
DTXSID3041085 EPA CompTox Dashboard
1981 DrugCentral
J242.858J Nikkaji
YUJNUM CCDC
50045004 BindingDB
229740 Brenda
229741 Brenda
10918 Guide to Pharmacology
DB01165 DrugBank
12013736 PubChem: Drugs of the Future
CHEMBL4 ChEMBL
SAM002264629 NIH Clinical Collection
C07321 KEGG Ligand
The data in this table is sourced from UniChem at EBI.