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Methadone-M/A (-H2O)
SpectraBase Compound ID K38yIQEgrhC
InChI InChI=1S/C20H23N/c1-4-15-20(16-17(2)21-3,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,21H,16H2,1-3H3/t17-/m0/s1
InChIKey XOJQUPDUPNATMS-KRWDZBQOSA-N
Mol Weight 277.41 g/mol
Molecular Formula C20H23N
Exact Mass 277.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlHzssDjnhg
Name Methadone-M/A (-H2O)
Classification Drug metabolite, artifact
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 277.183049745 u
Formula C20H23N
InChI InChI=1S/C20H23N/c1-4-15-20(16-17(2)21-3,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,21H,16H2,1-3H3/t17-/m0/s1
InChIKey XOJQUPDUPNATMS-KRWDZBQOSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 277.411 g/mol
Nominal Mass 277 u
Quality 852
Retention Index 2179
SMILES C(C1=CC=CC=C1)(C1=CC=CC=C1)(C[C@@](NC)(C)[H])C#CC
SPLASH splash10-0ar3-1930000000-81363d1737452c6abdd7
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (2S)-N-methyl-4,4-diphenylhept-5-yn-2-amine
Technique GC/MS
Wiley ID DD2024_018465