Dataset

Dihydrocapsacine, 8-Methyl-N-vanillylnonanamide, Dihydrocapsaicin, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT104420 contains the MS2 mass spectrum of Dihydrocapsacine, 8-Methyl-N-vanillylnonanamide, Dihydrocapsaicin, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide with the InChIkey XJQPQKLURWNAAH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
SMILES CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI Key XJQPQKLURWNAAH-UHFFFAOYSA-N
Molecular Formula C18H29NO3
Exact Mass 307.434 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-RIKEN_ReSpect-PT104420
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Author
Maintainer
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MetadataPublished 2008-07-25
Related Molecule
  • N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:46932 chebi
    LMFA08020318 lipidmaps
    CHEMBL311158 chembl
    119080 surechembl
    29819467 surechembl
    107982 pubchem
    W9BV32M08A fdasrs
    PD014955 probes_and_drugs
    125510 brenda
    HMDB0038457 hmdb
    Molport-001-742-258 molport
    50231198 bindingdb
    The data in this table is sourced from UniChem at EBI.