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Sibutramine MS3_2
SpectraBase Compound ID 7rsI2biDGb5
InChI InChI=1S/C8H8Cl/c1-2-7-3-5-8(9)6-4-7/h2-3,5-6H,1,4H2/q+1/b7-2+
InChIKey RBZVPZNRNNSOOE-FARCUNLSSA-N
Mol Weight 139.6 g/mol
Molecular Formula C8H8Cl
Exact Mass 139.031453 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID CwlkPYQebPW
Name Sibutramine-M (bis-nor-) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-150.00]
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InChI InChI=1S/C8H8Cl/c1-2-7-3-5-8(9)6-4-7/h2-3,5-6H,1,4H2/q+1/b7-2+
InChIKey RBZVPZNRNNSOOE-FARCUNLSSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]\C=C\1CC=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 ms3
Technique ITMS