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Pethidine-M (nor-HO-sidechain) MS2
SpectraBase Compound ID 2lEDc0tQcQ5
InChI InChI=1S/C14H19NO3/c16-10-11-18-13(17)14(6-8-15-9-7-14)12-4-2-1-3-5-12/h1-5,15-16H,6-11H2
InChIKey YSKQLISHWTXATK-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C14H19NO3
Exact Mass 249.136493 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LFNwNZ50yOc
Name Pethidine-M (nor-HO-sidechain) MS2
Comments F: ITMS + c ESI d w Full ms2 250.10
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Formula C14H19NO3
InChI InChI=1S/C14H19NO3/c16-10-11-18-13(17)14(6-8-15-9-7-14)12-4-2-1-3-5-12/h1-5,15-16H,6-11H2
InChIKey YSKQLISHWTXATK-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1CCC(C(OCCO)=O)(CC1)C1=CC=CC=C1
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