Dataset

Progabide; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA000694 contains the MS mass spectrum of Progabide with the InChIkey IBALRBWGSVJPAP-HEHNFIMWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)/b21-17+
SMILES NC(=O)CCCN=C(c(c2)ccc(Cl)c2)c(c1)c(O)ccc(F)1
InChI Key IBALRBWGSVJPAP-HEHNFIMWSA-N
Molecular Formula C17H16ClFN2O2
Exact Mass 334.088 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-WA000694
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol71478(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL287631 chembl
    35328 surechembl
    44115 pubchem
    PD159725 probes_and_drugs
    BODCIG CCDC
    Molport-006-132-663 molport
    The data in this table is sourced from UniChem at EBI.