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ÿþMass Spectrometry (MS) Measure mass of molecule How? 1 Mass Spectrometry (MS) Light molecule Large deflection Heavy molecule Small deflection Measure mass of molecule Measure the degree of deflection 2 Cocaine Molecular formula C17H21NO4 3 Cocaine Molecular weight Carbon 12 x 17 = 204 Hydrogen 1 x 21 = 21 14 x 1 = 14 Nitrogen C17H21NO4 16 x 4 = 64 Oxygen Total = 303 4 Cocaine Molecular weight = 303 Cocaine? No Same atoms can be arranged in different ways C17H21NO4 Isomers 5 C17H21NO4 Isomers Cocaine 6 Mass Spectrum Pattern of fragments at detector 7 Mass Spectrum Fragments Molecular ion (M+) mass amount of deflection 8 Mass Spectrum Pattern of fragments at detector Highest weight Molecular ion Lower weights Fragment ions Always the same pattern 9 Mass Spectrum Cocaine? Authentic sample of cocaine Compare the 2 fragmentation patterns Same Cocaine 10 Mass Spectrum Cocaine Molecular ion (M+) 11 Mass Spectrum Cocaine Molecular ion (M+) Diamorphine 12 Techniques 1 Chromatography Separation of mixtures 2 Spectroscopy and spectrometry Identification of components 13 Techniques Combining separation and identification Gas chromatography - Mass Spectrometry (GC-MS) Hyphenated technique 14 GC-MS GC output Auto- sampler Goes to mass spectrometer GC MS Detector MS 15 GC-MS Retention time of components GC output Quantify amount MS output Identification Combines separation and identification 16 Summary 1 Chromatography TLC, GC and HPLC Separation of mixtures 17 Summary 1 Chromatography 2 Infrared spectroscopy Identification by molecular vibrations Molecular stretching and bending 18 Summary 1 Chromatography 2 Infrared spectroscopy 3 Mass spectrometry Identification by fragmentation 19

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