Dataset

8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS044103 contains the MS2 mass spectrum of 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin with the InChIkey YKPUWZUDDOIDPM-UHFFFAOYSA-N.

Chemical Info

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)
SMILES	CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI Key	YKPUWZUDDOIDPM-UHFFFAOYSA-N
Molecular Formula	C18H27NO3
Exact Mass	305.418 g/mol

Data and Resources

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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-PS044103
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:07:59.672690
MetadataModified	2024-01-11T21:07:59.847951
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
FABVAF	CCDC
HMDB0247367	Human Metabolome Database
86537	BindingDB
SCHEMBL8086	SureChEMBL
CHEMBL3187928	ChEMBL
2548	PubChem
PD055348	ProbesDrugs
94524	ChEBI
MCULE-1919088454	Mcule
The data in this table is sourced from UniChem at EBI.