International Journal of Analytical Chemistry / 2019 / Article / Tab 2

Research Article

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

Table 2

Average peak area and coefficient of variation (CV, %) obtained at 3 different Resolving Powers (R) for pesticide metabolites diagnostic and fragment ions (n = 6).

MetabolitePeak areaDiagnostic ionFragment ion
R=10,000R=25,000R=50,000R=10,000R=25,000R=50,000

CMHCAverage908337839333570456129272672639492
CV (%)1.512.917.4924.3821.3652.87
DEAMPYAverage99426888094483483463190161187175626
CV (%)17.1528.5110.4922.3116.2040.94
IMPYAverage144708914250801663104Not found47097116409
CV (%)0.367.9213.22Not found1.2341.28
PNPAverage638864762800266007343393834238584844005830
CV (%)1.702.061.927.364.406.67
TCPyAverage10907501148221943686---
CV (%)1.737.048.08---
MNPAverage393889238137843650660503016474896634023
CV (%)3.103.854.1811.4013.2719.46
DMTPAverage763406833988833264463619973
CV (%)39.415.7416.5557.7437.3457.74
DMDTPAverage11150232139224771126791696253675
CV (%)36.3910.1330.7157.74110.5111.56
DEPAverage171973718709971556112196269272546272666
CV (%)4.094.335.8321.0012.496.12
DETPAverage22240082154624181964450934141703169339
CV (%)0.086.976.5663.4224.4724.00
APAverage587297430790733157684157729206069
CV (%)8.3433.6217.637.214.5913.43
MMPAverage698181781901124701986916913169306
CV (%)7.382.894.5825.933.057.43
OMETAverage45484226016149173130322550532670
CV (%)69.0423.3517.6835.0422.0932.95
DIMETAverage380660399855329466609348387487121
CV (%)8.4811.4414.446.5110.5531.27
PBAAverage648211571829363693121191138365166373
CV (%)8.8215.3416.1111.3020.4423.68
FPBAAverage6125795196354052047374382755112916
CV (%)13.9423.0711.9916.6813.9531.57
cis DCCAAverage171464273263194626---
CV (%)28.6016.3913.55---
trans DCCAAverage453810436816314120---
CV (%)6.126.4913.04---
DBCAAverage69043250332185---
CV (%)31.5640.9116.74---
ATZMAverage2730781179224756085131483014218431252716
CV (%)71.213.962.013.574.469.05
ALAMAverage6765968771251165883120012558161242225
CV (%)12.3015.927.777.022.355.40
METMAverage268530644807446473276253816657
CV (%)8.804.939.4957.7457.7457.74
2,4-DAverage12349981225331907979113096111172001224757
CV (%)6.274.395.673.858.453.68
2,4,5-TAverage731224786035477627677796718415777837
CV (%)10.7910.8610.657.9512.1513.05

Acquisition conditions: ESI+/ESI- in separated injections, HCD fragmentation 20 eV, and external mass calibration.
-: no fragment ions monitored.
Irregular peak shape caused by isobaric interferences. The measured areas could be affected by the interferences.

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