Dataset

Loratadine; LC-ESI-QTOF; MS2; 70 V

This MassBank record with Accession MSBNK-BAFG-CSL23111014781 contains the MS2 mass spectrum of Loratadine with the InChIkey JCCNYMKQOSZNPW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
SMILES CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
InChI Key JCCNYMKQOSZNPW-UHFFFAOYSA-N
Molecular Formula C22H23ClN2O2
Exact Mass 382.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111014781
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MetadataPublished 2023-11-10
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
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    CHEBI:6538 chebi
    CHEMBL998 chembl
    29380223 surechembl
    29441811 surechembl
    4596 surechembl
    3957 pubchem
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    HMDB0005000 hmdb
    DTXSID2023224 comptox
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    22876 bindingdb
    50637414 bindingdb
    The data in this table is sourced from UniChem at EBI.