Dataset

LORATADINE; ESI-QTOF; MS2; CE 25 eV; [M+H]+

This MassBank record with Accession MSBNK-UPAO-UPA00015 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)N(C4)CCC(C4)=C(c21)c(c3)c(cc(Cl)c3)CCc(cccn2)1
InChI Key JCCNYMKQOSZNPW-UHFFFAOYSA-N
Molecular Formula C22H23ClN2O2
Exact Mass 382.145 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-UPAO-UPA00015
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00455 drugbank
    CHEBI:6538 chebi
    CHEMBL998 chembl
    29380223 surechembl
    29441811 surechembl
    4596 surechembl
    3957 pubchem
    7AJO3BO7QN fdasrs
    7216 gtopdb
    PD000883 probes_and_drugs
    BEQGIN CCDC
    122950 brenda
    125889 brenda
    127070 brenda
    23329 brenda
    HMDB0005000 hmdb
    Molport-002-507-846 molport
    1605 drugcentral
    22876 bindingdb
    50637414 bindingdb
    The data in this table is sourced from UniChem at EBI.