International Journal of Analytical Chemistry / 2019 / Article / Tab 5

Research Article

Optimization of Resolving Power, Fragmentation, and Mass Calibration in an Orbitrap Spectrometer for Analysis of 24 Pesticide Metabolites in Urine

Table 5

Average mass accuracies (∆m) (ppm) and standard deviations (Std dev) using internal and external calibration for diagnostic and fragment ions in ESI positive mode (n=5).

MetaboliteDiagnostic ionFragment ion
Internal calibrationExternal calibrationInternal calibrationExternal calibration
∆m (ppm)Std dev∆m (ppm)Std dev∆m (ppm)Std dev∆m (ppm)Std dev

DEAMPY0.210.130.470.260.170.081.150.19
IMPY0.080.060.620.263.550.082.640.23
DIMET0.270.070.760.290.440.050.500.12
OMET0.140.100.530.390.120.110.900.33
AP0.120.100.410.210.150.080.990.27
ATZM0.490.150.990.410.190.040.910.36
ALAM0.240.271.140.550.170.140.590.17
METM1.521.382.231.070.770.451.960.39

Acquisition conditions: ESI+/ESI- in the same injection, R = 25,000 FWHM, and CID fragmentation 40 eV.

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