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Meclozine-M (N-oxide) MS2
SpectraBase Compound ID C5P4OkMkwx7
InChI InChI=1S/C25H28ClN2O/c1-20-6-5-7-21(18-20)19-28(29)16-14-27(15-17-28)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25,29H,14-17,19H2,1H3/q+1
InChIKey AXBXQWGCHKYUPR-UHFFFAOYSA-N
Mol Weight 407.97 g/mol
Molecular Formula C25H28ClN2O
Exact Mass 407.189016 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID H1yMfmrl7xY
Name Meclozine-M (N-oxide) MS2
Comments F: ITMS + c ESI d w Full ms2 407.10
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InChI InChI=1S/C25H28ClN2O/c1-20-6-5-7-21(18-20)19-28(29)16-14-27(15-17-28)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25,29H,14-17,19H2,1H3/q+1
InChIKey AXBXQWGCHKYUPR-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES O[N+]1(CC=2C=CC=C(C)C2)CCN(CC1)C(C=1C=CC=CC1)C1=CC=C(C=C1)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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS