Dataset

piperine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+

This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA02816 contains the MS2 mass spectrum of piperine with the InChIkey MXXWOMGUGJBKIW-YPCIICBESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
SMILES O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
InChI Key MXXWOMGUGJBKIW-YPCIICBESA-N
Molecular Formula C17H19NO3
Exact Mass 285.346 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-RIKEN_NPDepo-NGA02816
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Maintainer
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MetadataPublished 2018-04-04
Related Molecule
  • (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB12582 drugbank
    CHEBI:28821 chebi
    AYR rcsb_pdb
    CHEMBL43185 chembl
    29358781 surechembl
    94058 surechembl
    638024 pubchem
    U71XL721QK fdasrs
    PD001540 probes_and_drugs
    PIPINE CCDC
    179890 brenda
    20806 brenda
    45695 brenda
    HMDB0029377 hmdb
    Molport-001-759-210 molport
    50148573 bindingdb
    The data in this table is sourced from UniChem at EBI.