Page 28 - Application Notebook - Solution for Food Safety
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Application No. C154
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Spectrum based identification
In this study, the number of qualifier fragment ion In Fig. 6, demeton-S-methyl sulphone was to highlight
transitions was increased for each pesticide and the library matching in different matrices including cumin,
combined transitions were used to create a MRM potato, mucuna pruriens powder, tomato, black
product ion spectrum. This product ion spectrum pepper, peppermint tea and turmeric. Even in the
derived from MRM acquisitions was used in presence of complex spice matrices the library
conventional library matching routines comparing matching approach identified demeton-S-methyl
against a reference spectrum to generate a similarity sulphone with a high similarity score and a high degree
score. of confidence for data reporting.
Compound Name Demeton-
S-methyl sulphone
Formula C6H15O3PS2
CAS 919-86-8
RT 2.94mins
MRM spectrum
Precursor-fragment ions
11 MRM’s Similarity Score 99
1:263.00>109.10 CE: -30V 109 Matrix Tomato
2:263.00>169.10 CE: -22V Intensity 1.25e7
3:263.00>125.05 CE: -25V
4:263.00>121.15 CE: -16V 169
5:263.00>230.90 CE: -14V 125
6:263.00>93.10 CE: -21V
7:263.00>78.85 CE: -46V
8:263.00>143.15 CE: -16V 231
9:263.00>110.85 CE: -29V 79 93 143
10:263.00>77.05 CE: -30V 65
11:263.00>65.00 CE: -51V
75.0 100.0 125.0 150.0 175.0 200.0 m/z
2.80 3.00
109 Similarity Score 100 109 Similarity Score 100
Matrix Cumin Matrix Black Pepper
Intensity 2.5e6 Intensity 1.8e6
169 169
125 125
231 231
79 93 79 93
143 143
65 65
75.0 100.0 125.0 150.0 175.0 200.0 m/z 75.0 100.0 125.0 150.0 175.0 200.0 m/z
109 109
Similarity Score 100 Similarity Score 99
Matrix Potato Matrix Peppermint tea
169 Intensity 7.5e6 169 Intensity 6.4e6
125 125
231 231
79 93 79 93
143 143
65 65
75.0 100.0 125.0 150.0 175.0 200.0 m/z 75.0 100.0 125.0 150.0 175.0 200.0 m/z
109 Similarity Score 100 109 Similarity Score 100
Matrix Mucuna Pruriens Matrix Tumeric
Powder Intensity 1.8e6
169 Intensity 7.5e6 169
125 125
231 231
79 93 79 93
143 143
65 65
75.0 100.0 125.0 150.0 175.0 200.0 m/z 75.0 100.0 125.0 150.0 175.0 200.0 m/z
MRM spectrum identification in different matrices for demeton-S-methyl sulphone
