Dataset

Flumequine

This MassBank record with Accession MSBNK-Athens_Univ-AU103004 contains the MS2 mass spectrum of Flumequine with the InChIkey DPSPPJIUMHPXMA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
SMILES	CC1CCc2cc(cc3c2n1cc(c3=O)C(=O)O)F
InChI Key	DPSPPJIUMHPXMA-UHFFFAOYSA-N
Molecular Formula	C14H12FNO3
Exact Mass	261.080 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-AU103004
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:49:46.899836
MetadataModified	2024-01-11T09:49:47.049948
MetadataPublished	2015-09-22

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
1197	DrugCentral
DTXSID5045623	EPA CompTox Dashboard
MCULE-1576355150	Mcule
FLUMEQUINE	rxnorm
J16.025C	Nikkaji
HY-B0526	MedChemExpress
UVG8VSP2SJ	FDA SRS
85269	ChEBI
DB08972	DrugBank
CHEMBL370252	ChEMBL
14996210	PubChem: Thomson Pharma
3374	PubChem
PD001520	ProbesDrugs
LSM-5129	LINCS
flumequine	Selleck
42835-25-6	ACToR
SCHEMBL49829	SureChEMBL
143984-63-8	ACToR
474312	eMolecules
HMDB0041895	Human Metabolome Database
CB1264632	ChemicalBook
The data in this table is sourced from UniChem at EBI.