Dataset

Icaridin; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

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

Chemical Information

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
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MetadataPublished 2017-01-05
Related Molecule
  • butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate
    • 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.