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. 2023 Aug 3;8(32):29812–29835. doi: 10.1021/acsomega.3c04592

Table 2. Summary of the Identified Pesticides’ Metabolites Extracted from the Positive Case Samples.

sample no.   name of compound chemical structure MWa RTb peak area (mean ± SDc) major m/z ions pesticide class
sample 1 1 butanol-O-methyl oxime C5H11NO2 101 4.109 17 496 825 ± 0.001 41, 59, 86, 73 carbamates
2 6-chloro pyridazinone C4H3ClN2O 130 4.261 569 971 ± 0.102 73, 130 pyridazinone
3 trimethylsilyl-aziridine C8H18F3NOSi2 257 4.300 1 399 500 ± 0.07 45, 59, 73, 100, 115 organochlorine
4 1,2,4 triazolol C6H5N3S 151 4.624 45 239 ± 0.07 93, 151 triazole fungicides
5 N,N-diethyl-trimethylsilyl-carbamate C8H19NO2Si 189 5.249 151 670 413 ± 0.022 54, 59, 73, 100, 130, 174 carbamates
6 pyrrolidine 1-nitroso C4H8N2O 100 5.604 15 5871 ± 0.099 41, 69, 100 N-nitroso-compounds
7 N,N-diethyl-trimethylsilyl-carbamate C8H19NO2Si 189 5.829 1 009 547 ± 0.001 54, 59, 73, 100, 130, 174 carbamates
8 2,2-bi-1,3-dioxolane C6H10O4 146 5.523 136 183 ± 0.064 45, 73 carbamates
5.907
9 N-benzyloxy-2,2-bis(trifluoromethyl)aziridine C11H7F6NO2 299 6.081 158 136 ± 0.002 51, 105 organochlorine
10 xylo-hexos-5-ulose, 2,3,4,6,tetrakis-O-trimethylsilyl-bis(O-methyl oxime) C20H48N2O6Si4 524 6.277 2 460 678 ± 0.003 73, 103, 147, 202, 364 carbamates
sample 2 1 oxime, methoxy-phenyl C8H9NO2 151 3.993 62 239 086 ± 0.06 40, 42, 55, 74 carbamates
2 l-(2-cyanobicyclo-(2,2,1)-hept-5-en-2-yl), dimethyl-ethyl ester carbamate C13H18N2O2 235 5.251 126 400 865 ± 0.005 57, 59, 66, 113, 134, 178 carbamates
sample 3 1 galacto-hexodialdose, 2,3,4,5 tetrakis-O-trimethylsilyl-bis(O-methyl oxime) C20H48N2O6Si4 525 4.098 12 824 737 ± 0.042 28, 73, 147, 160, 364 carbamates
2 carbamate, N-(2 naphtyl)-3 pentynyl ester C16H15NO2 253 5.257 151 670 413 ± 0.002 41, 55, 67, 115, 143, 169, 253 carbamates
a

MW, molecular weight.

b

RT, retention time.

c

SD, standard deviation.