Dataset

Benalaxyl; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU262202 contains the MS2 mass spectrum of Benalaxyl with the InChIkey CJPQIRJHIZUAQP-INIZCTEOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m0/s1
SMILES COC(=O)[C@H](C)N(C(=O)CC1=CC=CC=C1)C1=C(C)C=CC=C1C
InChI Key CJPQIRJHIZUAQP-INIZCTEOSA-N
Molecular Formula C20H23NO3
Exact Mass 325.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU262202
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MetadataPublished 2019-05-30
Related Molecule
  • methyl (2S)-2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82782 chebi
    54808 surechembl
    5491362 pubchem
    06UBT0512C fdasrs
    VAPJOL CCDC
    The data in this table is sourced from UniChem at EBI.