Dataset

Capsaicin; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00617 contains the MS2 mass spectrum of Capsaicin with the InChIkey YKPUWZUDDOIDPM-SOFGYWHQSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
SMILES CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI Key YKPUWZUDDOIDPM-SOFGYWHQSA-N
Molecular Formula C18H27NO3
Exact Mass 305.199 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-Washington_State_Univ-BML00617
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB06774 drugbank
    CHEBI:3374 chebi
    LMFA08020085 lipidmaps
    4DY rcsb_pdb
    CHEMBL294199 chembl
    29370401 surechembl
    8085 surechembl
    1548943 pubchem
    S07O44R1ZM fdasrs
    PD001884 probes_and_drugs
    FABVAF CCDC
    133152 brenda
    1947 brenda
    62314 brenda
    HMDB0002227 hmdb
    Molport-001-742-263 molport
    3064 drugcentral
    20461 bindingdb
    The data in this table is sourced from UniChem at EBI.