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Amineptine-M (N-pentanoic acid) MS2
SpectraBase Compound ID EmWgfcAXPuA
InChI InChI=1S/C20H23NO2/c22-19(23)11-5-6-14-21-20-17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20/h1-4,7-10,20-21H,5-6,11-14H2,(H,22,23)
InChIKey BIMPSIQDPGMDPH-UHFFFAOYSA-N
Mol Weight 309.41 g/mol
Molecular Formula C20H23NO2
Exact Mass 309.172879 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID EV4lSscTpIh
Name Amineptine-M (N-pentanoic acid) MS2
Comments F: ITMS + c ESI d w Full ms2 309.83
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Formula C20H23NO2
InChI InChI=1S/C20H23NO2/c22-19(23)11-5-6-14-21-20-17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20/h1-4,7-10,20-21H,5-6,11-14H2,(H,22,23)
InChIKey BIMPSIQDPGMDPH-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C1C2=C(CCC3=C1C=CC=C3)C=CC=C2)CCCCC(=O)O
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