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Rupatadine MS3_2
SpectraBase Compound ID B0Si9g8xDhp
InChI InChI=1S/C18H17ClN/c1-3-12(2)17-16-9-8-15(19)11-14(16)7-6-13-5-4-10-20-18(13)17/h4-5,8-11,17H,1-3,6-7H2/q+1
InChIKey YPWCVMQLTDMDQR-UHFFFAOYSA-N
Mol Weight 282.79 g/mol
Molecular Formula C18H17ClN
Exact Mass 282.104952 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID IjkgeGQcJ4r
Name Desloratadine MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-295.00]
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InChI InChI=1S/C18H17ClN/c1-3-12(2)17-16-9-8-15(19)11-14(16)7-6-13-5-4-10-20-18(13)17/h4-5,8-11,17H,1-3,6-7H2/q+1
InChIKey YPWCVMQLTDMDQR-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]CC(C1C2=C(C=C(C=C2)Cl)CCC2=C1N=CC=C2)=C
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