Dataset

Capsaicin; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA001606 contains the MS 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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001606
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
    1548943 PubChem
    SCHEMBL8085 SureChEMBL
    MTBLC3374 Metabolights
    LMFA08020085 LipidMaps
    capsaicin DailyMed
    CB6112967 ChemicalBook
    HMDB0002227 Human Metabolome Database
    62314 Brenda
    133152 Brenda
    1947 Brenda
    14923155 PubChem: Thomson Pharma
    PD001884 ProbesDrugs
    404-86-4 ACToR
    S07O44R1ZM FDA SRS
    479469 eMolecules
    DTXSID9020241 EPA CompTox Dashboard
    4DY PDBe
    3064 DrugCentral
    ZINC000001530575 ZINC
    J1.529F Nikkaji
    J29.362H Nikkaji
    FABVAF CCDC
    MCULE-8056866140 Mcule
    DB06774 DrugBank
    LSM-43180 LINCS
    20248832 NMRShiftDB
    HY-10448A MedChemExpress
    HY-10448 MedChemExpress
    NGX-4010 clinicaltrials
    CAPSAICIN clinicaltrials
    NGX-1998 clinicaltrials
    ALGRX 4975 clinicaltrials
    QUTENZA clinicaltrials
    ALGRX-4975 clinicaltrials
    ZOSTRIX rxnorm
    CAPSAICIN rxnorm
    CAPZASIN-HP rxnorm
    QUTENZA rxnorm
    3374 Rhea
    CAPSAICIN DailyMed
    20461 BindingDB
    CB32551563 ChemicalBook
    CHEMBL294199 ChEMBL
    2486 Guide to Pharmacology
    3374 ChEBI
    C06866 KEGG Ligand
    12015395 PubChem: Drugs of the Future
    The data in this table is sourced from UniChem at EBI.