From:  Development of a novel non-targeted analytical method on evaluating the thermal stability of pesticides, enabling the identification of degradation products

 Summary of detected degradation products for the 10 AS

Active substanceDegradation product numberDetectionFormulaMolecular weight (g/mol)Retention time (min)IdentificationICL(Semi)- Quantification (ESI+/ESI-)Ratio DL50 rat oral
Azoxystrobin-
Boscalid1OvenC18H13ClN2O2324.06665.72c30.7%/9.2%**439.2%†
Chlorantraniliprole1
2
3
4
5
6
7
8
Oven
Oven/Microwave
Oven
Oven
Oven
Oven/Microwave
Oven
Microwave
C5H6BrN3O
C18H12BrCl2N5O
C17H10BrClN4O3
C18H13BrClN5O2
C17H9BrCl2N4O2
C17H11BrCl2N4O3
C18H14Cl3N5O2
C13H9ClN2O2
202.9694
462.9602
431.9625
444.9941
449.9286
467.9392
437.0213
260.0353
2.21
7.41
5.14
4.89
7.84
5.75
5.59
6.23
IN-F6L99a
IN-EQW78a
c
IN-LBA22b
c
IN-GKQ52b
c
c
1
1
3
3
3
3
3
3
32.7%/33.0%*
20.3%/ND*
0.5%/4.5%**
0.8%/3.4%**
0.2%/ND**
0.4%/11.2%**
1.4%/3.5%**
ND/0.4%**
40.2%††
16.1%†
72.0%†
13.6%†
85.5%†
47.5%††
41.4%†
17.0%††
Difenoconazole1OvenC16H11Cl2N3O2347.02286.32CGA205374b10.7%/1.0%*32.3%†
Fenhexamid-
Fenoxaprop-P1
2
3
4
5
Oven
Oven
Oven/Deep-fryer
Oven
Oven
C15H10ClNO3
C13H8ClNO3
C7H4ClNO2
C15H10ClNO4
C9H10O4
287.0349
261.0193
168.9931
303.0298
182.0579
7.76
6.07
4.20
6.98
2.39
c
AE F040356b
AE F054014b
c
AE F096918b
3
1
1
3
1
0.3%/ND**
5.1%/4.8%*
7.0%/8.0%*
0.9%/ND**
ND/4.7%*
82.4%†
123.2%†
37.6%†
63.0%†
47.9%†
Fluxapyroxad1OvenC18H12F3N3O2359.08826.62c30.7%/5.1%**95.8%††
Hexythiazox1Oven/deep-fryerC10H10ClNOS227.01725.39PT-1-3a150.4%*86.5%††
Pyraclostrobin1
2
3
4
5
Oven/deep-fryer
Oven/deep-fryer
Oven/deep-fryer
Oven
Oven
C19H18ClN3O4
C18H16ClN3O3
C19H18ClN3O4
C19H26Cl2N4O5
C9H7ClN2O
387.0986
357.0880
387.0986
460.1280
194.0247
6.71
7.23
6.99
8.78
4.61
500M54b
500M07b
500M54b
c
500M04a
3
1
3
4
1
1.4%/ND**
14.8%/ND*
0.5%/ND**
0.5%/ND**
1.0%/ND*
277.3%††
255.9%††
289.7%††
-
193.1%††
Tetraconazole-

-: no degradation product, a: reported in the hydrolysis section of the regulatory report, b: reported in regulatory report in other sections that hydrolysis section, c: not reported in the regulatory report, ICL: identification confidence level according to Schymanski scale, *: quantified using standard, **: semi-quantified, ND: Not detected, †: estimated using “hierarchical clustering” method and ††: estimated using the “nearest neighbor” method. AS: active substance; ESI: electrospray