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2-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol
SpectraBase Compound ID 4A96HVcqK2y
InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
InChIKey TVYLLZQTGLZFBW-UHFFFAOYSA-N
Mol Weight 263.38 g/mol
Molecular Formula C16H25NO2
Exact Mass 263.188529 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 2rSiTQRue9k
Name Tramadol MS2
Comments F: ITMS + c ESI d w Full ms2 264.10
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InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
InChIKey TVYLLZQTGLZFBW-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1(CCCCC1CN(C)C)C1=CC=CC(=C1)OC
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 ms2
Technique ITMS