Dataset

Icaridin

This MassBank record with Accession MSBNK-Athens_Univ-AU287203 contains the MS2 mass spectrum of Icaridin with the InChIkey QLHULAHOXSSASE-UHFFFAOYSA-N.

Chemical Info

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	CCC(C)OC(=O)N1CCCCC1CCO
InChI Key	QLHULAHOXSSASE-UHFFFAOYSA-N
Molecular Formula	C12H23NO3
Exact Mass	229.168 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU287203
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:01:17.449084
MetadataModified	2025-02-08T19:08:46.334987
MetadataPublished	2019-05-31
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.