Dataset

Naftidrofuryl

This MassBank record with Accession MSBNK-Waters-WA002651 contains the MS mass spectrum of Naftidrofuryl with the InChIkey KBAFPSLPKGSANY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3
SMILES	CCN(CC)CCOC(=O)C(CC(C3)OCC3)Cc(c1)c(c2)c(ccc2)cc1
InChI Key	KBAFPSLPKGSANY-UHFFFAOYSA-N
Molecular Formula	C24H33NO3
Exact Mass	383.246 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002651
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:41:36.506941
MetadataModified	2025-02-09T20:24:28.871226
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-6455560665	Mcule
1988070	eMolecules
PD013143	ProbesDrugs
LSM-1730	LINCS
31329-57-4	ACToR
SCHEMBL34062	SureChEMBL
14853734	PubChem: Thomson Pharma
4417	PubChem
CHEMBL1620794	ChEMBL
50347133	BindingDB
J20.371H	Nikkaji
91817	ChEBI
HMDB0255425	Human Metabolome Database
DTXSID3023344	EPA CompTox Dashboard
1870	DrugCentral
42H8PQ0NMJ	FDA SRS
NAFRONYL	rxnorm
CB7759257	ChemicalBook
DB13588	DrugBank
The data in this table is sourced from UniChem at EBI.