Dataset

Danofloxacin

This MassBank record with Accession MSBNK-Athens_Univ-AU102704 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-AU102704
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:46:11.716590
MetadataModified	2024-01-11T09:46:11.877971
MetadataPublished	2015-09-22

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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