Capsaicin

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Systematic / IUPAC Name: (6E)-N-(4-Hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide

ID: Reference340

Other Names: trans-8-Methyl-N-vanillyl-6-nonenamide

Formula: C18H27NO3

Class: Endogenous Metabolites

Spectral Data

Capsaicin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments LTQ Orbitrap XL; Orbitrap Elite; Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 4
No. of Spectra 564
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 3/18/2015 4:47:36 PM
View Mass Spec Data > >

Identificators

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+
InChI Key YKPUWZUDDOIDPM-SOFGYWHQSA-N
Canonical SMILES CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
CAS 404864
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Other Names trans-8-Methyl-N-vanillyl-6-nonenamide

In Other Databases

ChemSpider 1265956
KEGG C06866; D00250
ChEBI CHEBI:3374
Wikipedia Capsaicin
PubChem 1548943
HMDb HMDB02227
ChEMBL CHEMBL294199
ChemIDPlus 000404864