Qualitative Analysis of Precursor Substances of Phenyl-2-Acetone and 3，4-Methylenedioxyphenyl-2-Acetone

doi:10.12116/j.issn.1004-5619.2024.340701

Abstract

Abstract:

Objective To optimize and establish GC-MS, LC-MS, and infrared spectroscopy （IR） methods for analyzing 1-phenyl-2-propanone （P-2-P） and 3,4-methylenedioxyphenyl-2-propanone （MDP-2-P） precursors. Methods Eleven precursor substances of P-2-P and MDP-2-P were analyzed by GC-MS, LC-MS and IR methods, some key analytical parameters, such as solvent and injection temperature, were optimized. Results Substances such as 3-oxo-2-phenylbutyl methyl ester （MAPA） contain ester bonds in their structures were prone to ester exchange reactions. Therefore, alcohol solvent should be avoided to prevent the esterification. Instead, non-alcohol solvents, such as acetonitrile, were recommended. Substances such as MAPA that may undergo decomposition at the gas phase injection port temperature exceeded 170 ℃. It was recommended to lower the temperature of the injection port to 170 ℃. For substances that did not show peaks during GC-MS analysis, such as 2-methyl-3-phenylglycidic acid sodium salt （BMK sodium glycidylate） and 2-methyl-3-[3,4-（methylenedioxy）phenyl]glycidic acid sodium salt（PMK sodium glycidylate）, it was recommended for IR detection. Conclusion This study established GC-MS, LC-MS and IR methods that can accurately qualitatively analyze eleven P-2-P and MDP-2-P precursors, which can provide technical support for the detection of such substances in related cases.

Key words: forensic medicine, toxicological analysis, 1-phenyl-2-propanone （P-2-P）, 3,4-methylenedioxyphenyl-2-propanone （MDP-2-P）, precursor substances, gas chromatography-mass spectrometry （GC-MS）, liquid chromatography-mass spectrometry （LC-MS）, infrared spectrometry （IR）

CLC Number:

Xue-yan LIU, Wei JIA, Cui-mei LIU, Zhen-dong HUA, Zhen-chuan MA, Zhi-yu LI. Qualitative Analysis of Precursor Substances of Phenyl-2-Acetone and 3，4-Methylenedioxyphenyl-2-Acetone[J]. Journal of Forensic Medicine, 2025, 41(6): 566-573.

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URL: http://www.fyxzz.cn/EN/10.12116/j.issn.1004-5619.2024.340701

http://www.fyxzz.cn/EN/Y2025/V41/I6/566

Figures/Tables 8

Fig. 1 Chemical structural formulas of P-2-P， MDP-2-P and their 11 precursor substances

Fig. 2 TICs of MAPA， MAMDPA， APAA and EAPA in different solvents （280 ℃）

Fig. 3 Mass spectra of the P-2-P， MDP-2-P and their precursor substances

Fig. 4 Proposed fragmentation pathways of MAPA and EAPA isomers under EI mode

Tab. 1 Peak area percentages of P-2-P and MDP-2-P at different injection port temperatures

物质	P-2-P或MDP-2-P峰面积百分比
物质	280 ℃	210 ℃	190 ℃	180 ℃	170 ℃	160 ℃
BMK methyl glycidate	0.0	0.0	0.0	0.0	0.0	0.0
BMK ethyl glycidate	0.0	0.0	0.0	0.0	0.0	0.0
PMK methyl glycidate	0.0	0.0	0.0	0.0	0.0	0.0
PMK ethyl glycidate	0.0	0.0	0.0	0.0	0.0	0.0
MAPA	7.7	2.4	0.8	0.3	0.0	0.0
APAA	31.2	11.0	10.1	0.0	0.0	0.0
MAMDPA	27.6	10.1	2.8	0.0	0.0	0.0
EAPA	11.4	5.4	3.3	2.6	2.5	2.5
BMK glycidic acid	28.6	14.5	10.5	10.0	5.7	5.6
BMK sodium glycidylate	/	/	/	/	/	/
PMK sodium glycidylate	/	/	/	/	/	/

Fig. 5 TICs of PMK methyl glycidate， PMK ethyl glycidate， BMK methyl glycidate and BMK ethyl glycidate，along with the mass spectra of their cis and trans isomers

Fig. 6 TICs and MS/MS spectra of BMK glycidic acid and PMK glycidic acid

Fig. 7 Infrared spectra of BMK sodium glycidylate and PMK sodium glycidylate

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