Dataset

Mandestrobin; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01138001 contains the MS2 mass spectrum of Mandestrobin with the InChIkey PDPWCKVFIFAQIQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H23NO3/c1-13-9-10-14(2)17(11-13)23-12-15-7-5-6-8-16(15)18(22-4)19(21)20-3/h5-11,18H,12H2,1-4H3,(H,20,21)
SMILES CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(C(=O)NC)OC
InChI Key PDPWCKVFIFAQIQ-UHFFFAOYSA-N
Molecular Formula C19H23NO3
Exact Mass 313.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01138001
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83208 chebi
    182597 surechembl
    29354984 surechembl
    29371189 surechembl
    10935908 pubchem
    SXB20U6Z56 fdasrs
    The data in this table is sourced from UniChem at EBI.