Dataset

N-Despropylpropafenone; LC-ESI-Q; MS; POS; 60 V, 75 V

This MassBank record with Accession MSBNK-Waters-WA000883 contains the MS mass spectrum of N-Despropylpropafenone with the InChIkey HIGKMVIPYOFHBP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H21NO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13,19H2
SMILES NCC(O)COc(c2)c(ccc2)C(=O)CCc(c1)cccc1
InChI Key HIGKMVIPYOFHBP-UHFFFAOYSA-N
Molecular Formula C18H21NO3
Exact Mass 299.152 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-WA000883
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-[2-(3-amino-2-hydroxypropoxy)phenyl]-3-phenylpropan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    KN087PHW5T FDA SRS
    J450.661H Nikkaji
    50151857 BindingDB
    CHEMBL1365 ChEMBL
    128820 PubChem
    15493186 PubChem: Thomson Pharma
    86383-21-3 ACToR
    HMDB0060642 Human Metabolome Database
    SCHEMBL15750362 SureChEMBL
    The data in this table is sourced from UniChem at EBI.