Dataset

5-Hydroxypropafenone; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA002854 contains the MS mass spectrum of 5-Hydroxypropafenone with the InChIkey LUTWDNUXHDYZRA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H27NO4/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3
SMILES CCCNCC(O)COc(c2)c(cc(O)c2)C(=O)CCc(c1)cccc1
InChI Key LUTWDNUXHDYZRA-UHFFFAOYSA-N
Molecular Formula C21H27NO4
Exact Mass 357.194 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-WA002854
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MetadataPublished 2016-01-19
Related Molecule
  • 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    7AC8BF38NP FDA SRS
    171897 ChEBI
    50134995 BindingDB
    J258.552I Nikkaji
    CHEMBL1264 ChEMBL
    HMDB0060988 Human Metabolome Database
    107927 PubChem
    PD102152 ProbesDrugs
    15423384 PubChem: Thomson Pharma
    SCHEMBL2739132 SureChEMBL
    86384-10-3 ACToR
    The data in this table is sourced from UniChem at EBI.