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Detection of 3-methylmethcathinone and its metabolites 3-methylephedrine and 3- methylnorephedrine in pubic hair samples by liquid chromatography–high resolution/high accuracy Orbitrap mass spectrometry Giampietro Frison, Samuela Frasson, Flavio Zancanaro, Gianpaola Tedeschi, Luca Zamengo Forensic Science International Volume 265, Pages (August 2016) DOI: /j.forsciint Copyright © 2016 Elsevier Ireland Ltd Terms and Conditions
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Fig. 1 Chemical structures, elemental composition formulae, molecular weights, and exact mass values of MH+ ions of 4-MEC, 3-MMC, Pentedrone, 6-APB, and 5-MAPB. Forensic Science International , DOI: ( /j.forsciint ) Copyright © 2016 Elsevier Ireland Ltd Terms and Conditions
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Fig. 2 Extracted ion chromatograms at (a) m/z (3-MMC MH+ ions) of the full scan ion trace without fragmentation and at (b) m/z (3-MMC MH+ surviving ions), (c) , (d) , and (e) (3-MMC collision-induced product ions of MH+) of the ion trace in “all-ion fragmentation” conditions (HCD on, 20eV), 3-MMC full scan mass spectrum (f) and MH+ collision-induced product ion spectrum (g), all obtained from LC-HRMS analysis of the pubic hair sample. Forensic Science International , DOI: ( /j.forsciint ) Copyright © 2016 Elsevier Ireland Ltd Terms and Conditions
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Fig. 3 Chemical structures, elemental composition formulae, molecular weights, exact mass values of MH+ ions, and hypothesized metabolic pathway, starting from the 3-MMC, of 3-methylephedrine and 3-methylnorephedrine. Forensic Science International , DOI: ( /j.forsciint ) Copyright © 2016 Elsevier Ireland Ltd Terms and Conditions
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Fig. 4 Extracted ion chromatograms at (a) m/z (3-MMC MH+ ions), at (b) m/z (3-methylnorephedrine MH+ ions), at (c) m/z (3-methylephedrine MH+ ions) of the full scan ion trace without fragmentation, and (d) 3-MMC, (e) 3-methylephedrine, (f) 3-methylnorephedrine full scan mass spectra, all obtained from LC-HRMS analysis of the pubic hair sample. Forensic Science International , DOI: ( /j.forsciint ) Copyright © 2016 Elsevier Ireland Ltd Terms and Conditions
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Fig. 5 LC-HRMS experimental isotopic patterns of 3-methylnorephedrines (a) and 3-methylephedrines (b) MH+ ions; calculated isotopic patterns of ions with the elemental composition (c) C10H16NO and (d) C11H18NO. Forensic Science International , DOI: ( /j.forsciint ) Copyright © 2016 Elsevier Ireland Ltd Terms and Conditions
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Fig. 6 Isotopic fine structures of: (a) 3-methylephedrine MH+ ions (M+0), (b) M+1 isotopic peak, (c) M+2 isotopic peak, both for the experimental and calculated isotopic patterns. Forensic Science International , DOI: ( /j.forsciint ) Copyright © 2016 Elsevier Ireland Ltd Terms and Conditions
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Fig. 7 LC-HRMS mass spectra, obtained by CID of 3-methylnorephedrine (a) and 3-methylephedrine (b) MH+ ions, and their corresponding postulated fragmentation patterns (c) and (d). Forensic Science International , DOI: ( /j.forsciint ) Copyright © 2016 Elsevier Ireland Ltd Terms and Conditions
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