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Clemastine MS3_1
SpectraBase Compound ID 6HP4ZdXoXhH
InChI InChI=1S/C14H12Cl/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-10H,1H3/q+1
InChIKey PNDBHBIKDKHKSZ-UHFFFAOYSA-N
Mol Weight 215.7 g/mol
Molecular Formula C14H12Cl
Exact Mass 215.062753 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID IGlmK25gnud
Name Mecloxamine MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-230.00]
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InChI InChI=1S/C14H12Cl/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-10H,1H3/q+1
InChIKey PNDBHBIKDKHKSZ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](C1=CC=CC=C1)(C)C=1C=CC(=CC1)Cl
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