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 2024-01-11T22:28:41.282406
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000001530575 ZINC
3064 DrugCentral
4DY PDBe
DTXSID9020241 EPA CompTox Dashboard
MCULE-8056866140 Mcule
20248832 NMRShiftDB
LSM-43180 LINCS
DB06774 DrugBank
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
20461 BindingDB
3374 Rhea
CAPSAICIN DailyMed
QUTENZA rxnorm
CAPZASIN-HP rxnorm
CB32551563 ChemicalBook
capsaicin DailyMed
CB6112967 ChemicalBook
HMDB0002227 Human Metabolome Database
62314 Brenda
133152 Brenda
LMFA08020085 LipidMaps
MTBLC3374 Metabolights
1947 Brenda
J29.362H Nikkaji
J1.529F Nikkaji
SCHEMBL8085 SureChEMBL
1548943 PubChem
FABVAF CCDC
14923155 PubChem: Thomson Pharma
PD001884 ProbesDrugs
404-86-4 ACToR
S07O44R1ZM FDA SRS
CHEMBL294199 ChEMBL
2486 Guide to Pharmacology
3374 ChEBI
C06866 KEGG Ligand
12015395 PubChem: Drugs of the Future
479469 eMolecules
The data in this table is sourced from UniChem at EBI.