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Cetirizine
SpectraBase Compound ID 2H3JaMCykFh
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)
InChIKey ZKLPARSLTMPFCP-UHFFFAOYSA-N
Mol Weight 388.9 g/mol
Molecular Formula C21H25ClN2O3
Exact Mass 388.15537 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 3NZskPyT36D
Name Hydroxyzine-M (HOOC-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-415.00]
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Formula C21H25ClN2O3
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)
InChIKey ZKLPARSLTMPFCP-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC(COCCN1CCN(C(C=2C=CC(Cl)=CC2)C=2C=CC=CC2)CC1)=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD