Dataset

Icaridin

This MassBank record with Accession MSBNK-UFZ-UF420702 contains the MS2 mass spectrum of Icaridin with the InChIkey QLHULAHOXSSASE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3
SMILES O=C(OC(C)CC)N1C(CCO)CCCC1
InChI Key QLHULAHOXSSASE-UHFFFAOYSA-N
Molecular Formula C12H23NO3
Exact Mass 229.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF420702
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:52:56.832364
MetadataModified 2025-02-09T19:49:40.541991
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL2104314 ChEMBL
PD018355 ProbesDrugs
125098 PubChem
119515-38-7 ACToR
SCHEMBL135432 SureChEMBL
15172356 PubChem: Thomson Pharma
N51GQX0837 FDA SRS
DTXSID0034227 EPA CompTox Dashboard
PICARIDIN rxnorm
ICARIDIN DailyMed
HMDB0253340 Human Metabolome Database
J806.232C Nikkaji
PICARIDIN clinicaltrials
ICARIDIN clinicaltrials
HY-116144 MedChemExpress
icaridin DailyMed
143733 ChEBI
DB14074 DrugBank
CB2136802 ChemicalBook
10481900 eMolecules
The data in this table is sourced from UniChem at EBI.