Chen CW, Ho CT
Department of Food Science, Cook College, New Jersey Agricultural Experiment Station, Rutgers, The State University of New Jersey, New Brunswick, New Jersey 08901-8520.
J Agric Food Chem. 1998 Jan 19;46(1):220-223. doi: 10.1021/jf970488w.
Allyl isothiocyanate in an aqueous solution was heated and refluxed at 100 degrees C for 1 h. The reaction mixtures were then extracted with methylene chloride and analyzed using gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). The mixtures in aqueous phase were analyzed by high-performance liquid chromatography (HPLC) and liquid chromatography-mass spectrometry (LC-MS) equipped with an atmospheric-pressure chemical ionization (APCI) interface. The compounds identified in the methylene chloride extracts included diallyl sulfide, diallyl disulfide, diallyl trisulfide, diallyl tetrasulfide, allyl thiocyanate, 3H-1,2-dithiolene, 2-vinyl-4H-1,3-dithiin, 4H-1,2,3-trithiin, and 5-methyl-1,2,3,4-tetrathiane. N,N'-Diallylthiourea, which was the major degradation product in the aqueous phase from the thermal reaction of allyl isothiocyanate, was identified by using LC-MS (APCI+), direct-probe EI-MS, and (1)H-NMR. The possible mechanism for the formation of these products was proposed.
将异硫氰酸烯丙酯的水溶液在100℃加热回流1小时。然后用二氯甲烷萃取反应混合物，并使用气相色谱（GC）和气相色谱 - 质谱联用仪（GC - MS）进行分析。水相中的混合物通过配备大气压化学电离（APCI）接口的高效液相色谱（HPLC）和液相色谱 - 质谱联用仪（LC - MS）进行分析。在二氯甲烷提取物中鉴定出的化合物包括二烯丙基硫醚、二烯丙基二硫醚、二烯丙基三硫醚、二烯丙基四硫醚、烯丙基硫氰酸盐、3H - 1,2 - 二硫杂环戊烯、2 - 乙烯基 - 4H - 1,3 - 二硫英、4H - 1,2,3 - 三硫英和5 - 甲基 - 1,2,3,4 - 四硫烷。通过使用LC - MS（APCI +）、直接进样电子轰击质谱（EI - MS）和¹H - NMR鉴定出N，N'-二烯丙基硫脲，它是异硫氰酸烯丙酯热反应水相中的主要降解产物。并提出了这些产物形成的可能机制。
