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Methadone-M (nor-HO-) MS2
SpectraBase Compound ID 3zbDb6WnBgc
InChI InChI=1S/C20H25NO2/c1-4-19(23)20(14-15(2)21-3,16-8-6-5-7-9-16)17-10-12-18(22)13-11-17/h5-13,15,21-22H,4,14H2,1-3H3
InChIKey RMGYWXPGVGPTEJ-UHFFFAOYSA-N
Mol Weight 311.42 g/mol
Molecular Formula C20H25NO2
Exact Mass 311.188529 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 1QWSazjRzR5
Name Methadone-M (nor-HO-) MS2
Comments F: ITMS + c ESI d w Full ms2 312.10
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Formula C20H25NO2
InChI InChI=1S/C20H25NO2/c1-4-19(23)20(14-15(2)21-3,16-8-6-5-7-9-16)17-10-12-18(22)13-11-17/h5-13,15,21-22H,4,14H2,1-3H3
InChIKey RMGYWXPGVGPTEJ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C(CC(C=1C=CC(=CC1)O)(C1=CC=CC=C1)C(=O)CC)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