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Repaglinide MS3_2
SpectraBase Compound ID HcsQQPsKsbS
InChI InChI=1S/C11H16N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7H,2,5-6,8-10H2/q+1
InChIKey LJYAIRDYXDDHAM-UHFFFAOYSA-N
Mol Weight 162.26 g/mol
Molecular Formula C11H16N
Exact Mass 162.128275 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Ebifej0N736
Name Repaglinide-M (O-deethyl-) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C11H16N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7H,2,5-6,8-10H2/q+1
InChIKey LJYAIRDYXDDHAM-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C1=CC=C(C[CH+]1)N1CCCCC1
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