Dataset

Naftidrofuryl; LC-ESI-Q; MS; POS; 30 V, 45 V

This MassBank record with Accession MSBNK-Waters-WA002650 contains the MS mass spectrum of Naftidrofuryl with the InChIkey KBAFPSLPKGSANY-UHFFFAOYSA-N.

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002650
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
    • 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.