Dataset

Cetirizine; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU212401 contains the MS2 mass spectrum of Cetirizine with the InChIkey ZKLPARSLTMPFCP-OAQYLSRUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1
SMILES N1([C@@H](c2ccc(Cl)cc2)c2ccccc2)CCN(CCOCC(O)=O)CC1
InChI Key ZKLPARSLTMPFCP-OAQYLSRUSA-N
Molecular Formula C21H25ClN2O3
Exact Mass 388.155 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU212401
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MetadataPublished 2015-12-04
Related Molecule
  • 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB06282 drugbank
    CHEBI:94559 chebi
    LCR rcsb_pdb
    CHEMBL1201191 chembl
    4914 surechembl
    1549000 pubchem
    28145931 pubchem
    6U5EA9RT2O fdasrs
    PD003122 probes_and_drugs
    HMDB0240226 hmdb
    Molport-005-935-334 molport
    1566 drugcentral
    85030 bindingdb
    The data in this table is sourced from UniChem at EBI.