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
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-5073177964 Mcule
    122950 Brenda
    CB5283770 ChemicalBook
    loratadine DailyMed
    23329 Brenda
    127070 Brenda
    125889 Brenda
    HMDB0005000 Human Metabolome Database
    591473 eMolecules
    3957 PubChem
    PD000883 ProbesDrugs
    7AJO3BO7QN FDA SRS
    LSM-5891 LINCS
    14804759 PubChem: Thomson Pharma
    79794-75-5 ACToR
    PA450266 PharmGKB
    Loratadine Selleck
    SCHEMBL4596 SureChEMBL
    DB00455 DrugBank
    CHEMBL998 ChEMBL
    12013131 PubChem: Drugs of the Future
    SAM001246987 NIH Clinical Collection
    CB12630383 ChemicalBook
    CB54633221 ChemicalBook
    22876 BindingDB
    CLARITIN-D rxnorm
    CLARITIN rxnorm
    ALAVERT rxnorm
    LORATADINE rxnorm
    ALAVERT clinicaltrials
    SCH 29851 clinicaltrials
    LORATADINE clinicaltrials
    BAY76-2211 clinicaltrials
    CLARITIN clinicaltrials
    SCH-29851 clinicaltrials
    HY-17043 MedChemExpress
    DTXSID2023224 EPA CompTox Dashboard
    1605 DrugCentral
    6538 ChEBI
    ZINC000000537931 ZINC
    7216 Guide to Pharmacology
    J23.749C Nikkaji
    BEQGIN CCDC
    LORATADINE DailyMed
    The data in this table is sourced from UniChem at EBI.