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Azatadine MS3_1
SpectraBase Compound ID 9b4gk9kzIQo
InChI InChI=1S/C19H18N/c1-3-14(4-2)18-17-10-6-5-8-15(17)11-12-16-9-7-13-20-19(16)18/h1,3,5-10,13H,4,11-12H2,2H3/q+1/b18-14-
InChIKey WBQIJZRKAGKQFW-JXAWBTAJSA-N
Mol Weight 260.36 g/mol
Molecular Formula C19H18N
Exact Mass 260.143925 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AVDtXGUmDfy
Name Azatadine MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-275.00]
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InChI InChI=1S/C19H18N/c1-3-14(4-2)18-17-10-6-5-8-15(17)11-12-16-9-7-13-20-19(16)18/h1,3,5-10,13H,4,11-12H2,2H3/q+1/b18-14-
InChIKey WBQIJZRKAGKQFW-JXAWBTAJSA-N
Ion Polarity P
Ionization Type ESI
SMILES C(\C(CC)=C\1C=2C(=CC=CN2)CCC2=CC=CC=C12)=[CH+]
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