Dataset

Danofloxacin

This MassBank record with Accession MSBNK-Athens_Univ-AU102705 contains the MS2 mass spectrum of Danofloxacin with the InChIkey QMLVECGLEOSESV-RYUDHWBXSA-N.

Chemical Info

InChI	InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1
SMILES	CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F
InChI Key	QMLVECGLEOSESV-RYUDHWBXSA-N
Molecular Formula	C19H20FN3O3
Exact Mass	357.149 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU102705
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:04:14.815610
MetadataModified	2025-02-08T19:01:12.807399
MetadataPublished	2015-09-22
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD014701	ProbesDrugs
24CU1YS91D	FDA SRS
16661756	PubChem: Thomson Pharma
112398-08-0	ACToR
SCHEMBL149627	SureChEMBL
30513152	eMolecules
183837	ChEBI
ZINC000000607798	ZINC
71335	PubChem
25273623	PubChem
DANOFLOXACIN	rxnorm
HY-W011117	MedChemExpress
DTXSID0046432	EPA CompTox Dashboard
J456.660B	Nikkaji
DEYMED	CCDC
DANOFLOXACIN MESYLATE	rxnorm
ADVOCIN	rxnorm
DB11393	DrugBank
CB5188211	ChemicalBook
CHEMBL157548	ChEMBL
The data in this table is sourced from UniChem at EBI.