Dataset

Cinoxacin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80957 contains the MS mass spectrum of Cinoxacin with the InChIkey VDUWPHTZYNWKRN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)
SMILES	CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3
InChI Key	VDUWPHTZYNWKRN-UHFFFAOYSA-N
Molecular Formula	C12H10N2O5
Exact Mass	262.059 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-Washington_State_Univ-BML80957
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:23:03.823597
MetadataModified	2024-01-11T22:23:04.027582
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
536545	eMolecules
CHEMBL1208	ChEMBL
C08052	KEGG Ligand
DB00827	DrugBank
12015380	PubChem: Drugs of the Future
39350	BindingDB
CINOXACIN	rxnorm
CINOXACIN	clinicaltrials
CINOBAC	clinicaltrials
ZINC000000032350	ZINC
MCULE-3390574434	Mcule
DTXSID8022822	EPA CompTox Dashboard
657	DrugCentral
HY-B1085	MedChemExpress
CB3200706	ChemicalBook
HMDB0014965	Human Metabolome Database
PA449007	PharmGKB
3716	ChEBI
J3.169K	Nikkaji
DEWHOC	CCDC
SCHEMBL43770	SureChEMBL
2762	PubChem
PD002418	ProbesDrugs
LMK22VUH23	FDA SRS
15490737	PubChem: Thomson Pharma
28657-80-9	ACToR
LSM-6552	LINCS
The data in this table is sourced from UniChem at EBI.