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Loratadine-M (N-dealky-) MS3_2
SpectraBase Compound ID KHDodnqUYi8
InChI InChI=1S/C15H15ClN2/c16-13-8-6-12(7-9-13)14(4-3-10-17)15-5-1-2-11-18-15/h1-2,4-9,11H,3,10,17H2/b14-4-
InChIKey KFGWVIWAVKTAHM-CPSFFCFKSA-N
Mol Weight 258.75 g/mol
Molecular Formula C15H15ClN2
Exact Mass 258.092376 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID IunIhvhbew1
Name Loratadine-M (N-dealky-) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-270.00]
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InChI InChI=1S/C15H15ClN2/c16-13-8-6-12(7-9-13)14(4-3-10-17)15-5-1-2-11-18-15/h1-2,4-9,11H,3,10,17H2/b14-4-
InChIKey KFGWVIWAVKTAHM-CPSFFCFKSA-N
Ion Polarity P
Ionization Type ESI
SMILES NCC\C=C\(C1=CC=C(C=C1)Cl)C1=CC=CC=N1
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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS