Dataset

Cetirizine

This MassBank record with Accession MSBNK-UFZ-UF411051 contains the MS2 mass spectrum of Cetirizine with the InChIkey ZKLPARSLTMPFCP-UHFFFAOYSA-N.

Chemical Info

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)
SMILES OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
InChI Key ZKLPARSLTMPFCP-UHFFFAOYSA-N
Molecular Formula C21H25ClN2O3
Exact Mass 388.155 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF411051
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MetadataCreated 2024-01-11T21:59:03.739329
MetadataModified 2025-02-09T19:50:41.721438
MetadataPublished 2017-01-05
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