Page 29 - Application Notebook - Solution for Food Safety
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Application   No. C154
    News


            „  Spectrum based identification
            To increase the confidence in reporting results the   Fig. 7 highlights the advantage of using a library
            number of qualifier transitions was increased for each   searchable fragment ion spectrum in identifying and
            pesticide and the combined MRM transitions were    quantifying desmedipham and phenmedipham. Both
            used to create a product ion spectrum. This MRM    desmedipham and phenmedipham share several
            product ion spectrum can then be automatically     common fragment ions and have similar retention
            compared against a reference spectrum to generate a   times. Using MRM Spectrum Mode and comparing to a
            product ion spectrum match score using conventional   library searchable spectra, both desmedipham and
            library matching.                                  phenmedipham are positively identified (fragment
                                                               ions at  m/z 154 and 182 are absent in  product ion
                                                               spectrum for phenmedipham).


                                Desmedipham
                                6 MRM’s; RT 10.801 mins
              1:318.00>136.10 CE: -27.0
              2:318.00>301.00 CE: -9.0                                               Desmedipham
              3:318.00>182.00 CE: -14.0                                         182  Acquired spectrum
              4:318.00>154.10 CE: -23.0
              5:318.00>108.10 CE: -40.0                                136
              6:318.00>93.10 CE: -48.0                                                                  301

                                                                93         154
                                                                 108
                                                             0
                                                               93  108               Desmedipham
                                                                           154       Library Spectrum
                                                                                     Match score 99
                                                                                                         301
                                                                       136
                                                                                182
                   10.50 10.60 10.70 10.80 10.90 11.00 11.10 11.20 11.30  100.0  125.0  150.0  175.0  200.0  225.0  250.0  275.0  m/z
                                                        min


                                         Phenmedipham
                                         6 MRM’s; RT 11.041 mins
              1: 318.00>136.10 CE: -27.0
              2:318.00>301.00 CE: -9.0                                               Phenmedipham
              3:318.00>182.00 CE: -14.0                                136           Acquired spectrum
              4:318.00>154.10 CE: -23.0                                              No fragment ions present at
              5:318.00>108.10 CE: -40.0                                              m/z 154 and 182    301
              6:318.00>93.10 CE: -48.0
                                                                93
                                                                 108
                                                             0
                                                               93  108
                                                                                     Desmedipham
                                                                           154       Library Spectrum
                                                                                     No hit reported
                                                                                                         301
                                                                       136
                                                                                182
                   10.50 10.60 10.70 10.80 10.90 11.00 11.10 11.20 11.30  100.0  125.0  150.0  175.0  200.0  225.0  250.0  275.0  m/z
                                                        min

                  MRM chromatogram for desmedipham and phenmedipham spiked into a cumin extract at 0.1 mg/kg. As phenmedipham shares
             common transitions and elutes at a similar retention time as desmedipham the MRM spectrum can be used to distinguish between both
                                             pesticides to avoid false positive reporting.
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