Dataset

Capsaicin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80892 contains the MS mass spectrum of Capsaicin with the InChIkey YKPUWZUDDOIDPM-SOFGYWHQSA-N.

Chemical Info

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-BML80892
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:41.122837
MetadataModified 2025-02-09T20:02:53.593087
MetadataPublished 2016-01-19
Related Molecule
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.