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Pregabaline-M (N-methyl-) MS2
SpectraBase Compound ID Br9qZOCwVix
InChI InChI=1S/C9H19NO2/c1-7(2)4-8(6-10-3)5-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKey MADUVMLGQASXOK-UHFFFAOYSA-N
Mol Weight 173.26 g/mol
Molecular Formula C9H19NO2
Exact Mass 173.141579 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Lsv8RlqnQXF
Name Pregabaline-M (N-methyl-) MS2
Comments F: ITMS + c ESI d w Full ms2 174.10
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Formula C9H19NO2
InChI InChI=1S/C9H19NO2/c1-7(2)4-8(6-10-3)5-9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKey MADUVMLGQASXOK-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(CC(CC(=O)O)CC(C)C)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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS