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

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Results and Discussion The fragmentation patterns of the waste components were found similar to each other. While fragmenting few hydrocarbon standards we have seen a significant similarity between the MS 2 patterns of waste components and that of squalene. Figure 3-40 shows the MS 2 spectrum for squalene and figure 3-41 shows the MS 2 spectra that belong to four selected ions from the waste, m/z 409, m/z 411, m/z 413 and m/z 415. While the m/z 411 ions within the waste extract and that of squalene have the same molecular formula (C 30 H 51 ) + , they are not structurally identical. There is partial resemblance between the MS 2 spectra of the two compounds. Similarly the other selected ions have matching fragments with those obtained from squalene. Figure 3-39 MS 2 fragmentation spectra for nonacosane C 29 H 59 + within standard n- alkane mixture (a) and within waste sample (b) 71
Results and Discussion Intens. [%] 100 80 60 40 20 120.9 134.9 162.9 176.9 202.9 230.9 245.0 259.1 287.1 301.1 315.2 329.2 355.3 341.3 369.3 412.3 +MS 2 (411.0) 0 100 150 200 250 300 350 400 450m/z Figure 3-40 APCI-MS 2 spectrum of squalene of m/z 411 Intens [%] 100 75 50 25 [%] 0 100 75 50 25 [%] 0 100 75 50 25 [%] 0 100 75 50 25 0 130.8 144.8 160.7 172.8 174.8 160.7 188.8 202.7 162.8 176.7 162.7 190.8 148.7 198.7 212.8 254.9 226.8 240.8 216.9 228.9 242.9 218.7232.9 244.8 259.0 260.9 271.0 274.9 339.1 311.0 283.0 297.0 325.1 100 150 200 250 300 350 400 450m/z 287.0 299.0 315.0 317.0 367.1 394.1 411.3 327.1 341.1 355.1369.1 396.1 343.1 345.1 357.1 359.1 373.1 385.2 419.2 MS 2 (409) MS 2 (411) MS 2 (413) MS 2 (415) Figure 3-41 APCI-MS 2 spectra of four selected ions within the waste sample of m/z 409,411,413 and 415 The similarity between the unsaturated compounds in the waste and squalene is demonstrated in their fragmentation pattern that are underlined in figure 3-41. This suggests degraded compounds could be structurally similar but not identical to squalene. Addition experiments involved the analysis of other standards of hydrocarbon. For example 5-α-cholestane was depicted as (M-1) + ions first time reported to produce under APCI conditions. Interestingly MS 2 tandem spectrum for 5-α-cholestane standard (see figure 3-42) at m/z 371 (C 27 H 47 ) + was found 72
Page 1 and 2:
Development of a Novel Mass Spectro
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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
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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: Results and Discussion isolated fro
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
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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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