Development of a Novel Mass Spectrometric ... - Jacobs University

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Results and Discussion identical to MS 2 tandem spectrum of m/z 371 isolated from the waste mixture shown in figure 3-43. Further MS 3 spectra were acquired for the significant m/z 355 fragment ion from both the standard and waste sample. The resulting spectra were also found identical. Another interpretation of the MS 2 fragmentation spectra is provided in table 3.5. The fragments of tetracosane, pentacosane and squalene are assigned. Table 3.5 CID MS 2 -stage tandem mass spectra for some of the positive ions of tetracosane, pentacosane and squalene. Compound (m/z) MS 2 fragmentations (Product ions m/z) (281) C 20 H 41 (183) C 13 H 27 (267) C 19 H 39 (169) C 12 H 25 Tetracosane (337) (253) C 18 H 37 (155) C 11 H 23 (239) C 17 H 35 (141) C 10 H 21 (225) C 16 H 33 (127) C 9 H 19 (211) C 15 H 31 (113) C 8 H 17 (197) C 14 H 29 (295) C 21 H 43 (197) C 14 H 29 (281) C 20 H 41 (183) C 13 H 27 Pentacosane (351) (267) C 19 H 39 (169) C 12 H 25 (253) C 18 H 37 (155) C 11 H 23 (239) C 17 H 35 (141) C 10 H 21 (225) C 16 H 33 (127) C 9 H 19 (211) C 15 H 31 (113) C 8 H 17 (369) C 27 H 45 (231) C 17 H 27 (355) C 26 H 43 (217) C 16 H 25 (341) C 25 H 41 (203) C 15 H 23 (329) C 24 H 41 (189) C 14 H 21 Squalene (411) (315) C 23 H 39 (177) C 13 H 19 (301) C 22 H 37 (163) C 12 H 17 (287) C 21 H 35 (149) C 11 H 15 (273) C 20 H 33 (135) C 10 H 13 (259) C 19 H 31 (121) C 9 H 11 (245) C 18 H 29 73
Results and Discussion Intens. [%] 100 354.9 +MS 2 (371) 75 50 25 [%] 0 148.9 188.9 261.0 315.1 371.3 +MS 3 (371->355) 100 268.7 75 50 284.8 354.9 25 0 338.9 50 100 150 200 250 300 350 400 450 m/z Figure 3-42 Fragmentation spectrum of 5-α-cholestane at m/z 371 C 27 H 47 + within standard 5-α-cholestane sample Intens. [%] 100 373.3 +MS 2 (371.0) 75 50 25 119.1 145.0 174.9 230.0 258.1 300.2 355.1 [%] 0 100 355.1 +MS 3 (371.0->355.0) 75 50 25 0 268.9 284.9 50 100 150 200 250 300 350 400 450 m/z Figure 3-43 Fragmentation spectra for C 27 H 47 + ion at m/z 371 within waste sample A fragmentation scheme for 5-α-cholestane at m/z 371 is demonstrated in scheme 5. The fragmentation appears to start in the alkyl group of 5-α-cholestane. Subsequent losses of a methyl with a neighboring hydrogen and an isopentyl group is proposed to explain part of the fragmentation spectrum of 5-α-cholestane. 74
Page 1 and 2:
Development of a Novel Mass Spectro
Page 3 and 4:
Declaration of Authorship I ,Nadim
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This work has been carried out unde
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Contents Contents Declaration of Au
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List of Figures List of Figures Fig
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List of Figures Figure 3-39 MS 2 fr
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List of Tables List of Tables Table
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Abbreviations Abbreviations APCI AP
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Abbreviations UV VGOs VOCs VRs ultr
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Introduction Analytical chemistry h
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Introduction 1.2 Presence and Fate
Page 23 and 24:
Introduction aliphatic hydrocarbons
Page 25 and 26:
Introduction Figure 1-1 Examples of
Page 27 and 28:
Introduction Figure 1-2 Range of io
Page 29 and 30:
Introduction fractions. 42 Another
Page 31 and 32:
Introduction 1.3.5 APLI Other crude
Page 33 and 34:
Introduction products). Other molec
Page 35 and 36:
Introduction Other studies performe
Page 37 and 38:
Introduction APLI-FT ICR-MS Crude o
Page 39 and 40: Introduction spectrometry in as muc
Page 41 and 42: Introduction catalytic processing t
Page 43 and 44: Introduction Figure 1-6 Kendrick ma
Page 45 and 46: Introduction including determinatio
Page 47 and 48: Introduction 1.5 Scope and Signific
Page 49 and 50: Experimental e) Other model mixture
Page 51 and 52: Experimental 2.2.2 Preparation of O
Page 53 and 54: Experimental 2.4 Graphical Presenta
Page 55 and 56: Results and Discussion experiment.
Page 57 and 58: Results and Discussion Intens. [%]
Page 59 and 60: Results and Discussion common featu
Page 61 and 62: Results and Discussion 3.2 APCI-TOF
Page 63 and 64: Results and Discussion These compou
Page 67 and 68: Results and Discussion Ions were pr
Page 71 and 72: Results and Discussion procedure ba
Page 75 and 76: Results and Discussion to produce m
Page 77 and 78: Results and Discussion 519.5863 519
Page 79 and 80: Results and Discussion Higher mass
Page 87 and 88: Results and Discussion isolated fro
Page 89: Results and Discussion Intens. [%]
Page 93 and 94: Results and Discussion 3.4.5 Tandem
Page 97 and 98: Results and Discussion injected int
Page 101 and 102: Results and Discussion 3.4.8 Quanti
Page 103 and 104: Results and Discussion Int. x 10000
Page 105 and 106: Results and Discussion Table 3.6 Qu
Page 107 and 108: Results and Discussion assessment o
Page 109 and 110: Results and Discussion hydrocarbons
Page 117 and 118: Results and Discussion of n-alkanes
Page 119 and 120: Results and Discussion flow (in I2)
Page 121 and 122: Results and Discussion Other intere
Page 123 and 124: Results and Discussion Figure 3-80
Page 125 and 126: Results and Discussion KMD 2.4 2.2
Page 127 and 128: Results and Discussion KMD 1.1 1 Le
Page 129 and 130: Results and Discussion 3.6.4 Asphal
Page 131 and 132: Conclusions In conclusion we could
Page 133 and 134: References References 1. Fay, R. M.
Page 135 and 136: References 23. Colavecchia, M. V.,
Page 137 and 138: References 47. Dzidic, I., Petersen
Page 139 and 140: References Hydroconversion Processe
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References 91. Golovlev, V. V., All
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Appendix Light shredder waste Meas.
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419.4592 C 30 H 59 419.4611 4.6 421
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Liqui Moly car motor oil Meas. m/z
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345.3511 C 25 H 45 345.3516 1.5 349
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