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Loratadine MS3_1
SpectraBase Compound ID DS32r6MPnQd
InChI InChI=1S/C20H18ClN2O/c21-17-5-6-18-16(12-17)4-3-15-2-1-9-22-20(15)19(18)14-7-10-23(13-24)11-8-14/h1-2,5-6,9,12H,3-4,7-8,10-11H2/q+1
InChIKey HOKAKDILNNZMCC-UHFFFAOYSA-N
Mol Weight 337.83 g/mol
Molecular Formula C20H18ClN2O
Exact Mass 337.110766 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5VMwqAcXrs
Name Loratadine MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-350.00]
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InChI InChI=1S/C20H18ClN2O/c21-17-5-6-18-16(12-17)4-3-15-2-1-9-22-20(15)19(18)14-7-10-23(13-24)11-8-14/h1-2,5-6,9,12H,3-4,7-8,10-11H2/q+1
InChIKey HOKAKDILNNZMCC-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](N1CCC(CC1)=C1C2=C(C=C(C=C2)Cl)CCC2=C1N=CC=C2)=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS