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Determination of Pesticides by Gas Chromatography Combined with Mass Spectrometry Using Femtosecond Lasers Emitting at 267, 400, and 800 nm as the Ionization Source
Analytical Chemistry ( IF 6.7 ) Pub Date : 2018-03-06 00:00:00 , DOI: 10.1021/acs.analchem.8b00537 Xixiang Yang 1 , Tomoko Imasaka 2 , Totaro Imasaka 3
Analytical Chemistry ( IF 6.7 ) Pub Date : 2018-03-06 00:00:00 , DOI: 10.1021/acs.analchem.8b00537 Xixiang Yang 1 , Tomoko Imasaka 2 , Totaro Imasaka 3
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A standard sample mixture containing 51 pesticides was separated by gas chromatography (GC), and the constituents were identified by mass spectrometry (MS) using femtosecond lasers emitting at 267, 400, and 800 nm as the ionization source. A two-dimensional display of the GC/MS was successfully used for the determination of these compounds. A molecular ion was observed for 38 of the compounds at 267 nm and for 30 of the compounds at 800 nm, in contrast to 27 among 50 compounds when electron ionization was used. These results suggest that the ultraviolet laser is superior to the near-infrared laser for molecular weight determinations and for a more reliable analysis of these compounds. In order to study the conditions for optimal ionization, the experimental data were examined using the spectral properties (i.e., the excitation and ionization energies and absorption spectra for the neutral and ionized species) obtained by quantum chemical calculations. A few molecules remained unexplained by the currently reported rules, requiring additional rules for developing a full understanding of the femtosecond ionization process. The pesticides in the homogenized matrix obtained from kabosu (citrus sphaerocarpa) were measured using lasers emitting at 267 and 800 nm. The pesticides were clearly separated and measured on the two-dimensional display, especially for the data measured at 267 nm, suggesting that this technique would have potential for use in the practical trace analysis of the pesticides in the environment.
中文翻译：
气相色谱-质谱联用气相色谱法（使用在267、400和800 nm发射的飞秒激光作为电离源）测定农药
通过气相色谱（GC）分离出包含51种农药的标准样品混合物，并使用在267、400和800 nm处发射的飞秒激光作为电离源，通过质谱（MS）鉴定成分。GC / MS的二维显示已成功用于测定这些化合物。在使用电子电离时，在267 nm处观察到38种化合物的分子离子，在800 nm处观察到30种化合物的分子离子，而在50种化合物中观察到27种。这些结果表明，在分子量测定和对这些化合物的更可靠分析方面，紫外激光优于近红外激光。为了研究最佳电离的条件，使用光谱特性（即 通过量子化学计算获得的中性和电离物质的激发能，电离能和吸收光谱）。当前报告的规则尚无法解释一些分子，因此需要其他规则来发展对飞秒电离过程的全面了解。从kabosu（使用在267和800 nm处发射的激光来测量柑桔。农药被清楚地分离并在二维显示器上进行了测量，尤其是对于在267 nm处测得的数据，这表明该技术将有可能用于对环境中的农药进行实际的痕量分析。
更新日期：2018-03-06
中文翻译：
气相色谱-质谱联用气相色谱法（使用在267、400和800 nm发射的飞秒激光作为电离源）测定农药
通过气相色谱（GC）分离出包含51种农药的标准样品混合物，并使用在267、400和800 nm处发射的飞秒激光作为电离源，通过质谱（MS）鉴定成分。GC / MS的二维显示已成功用于测定这些化合物。在使用电子电离时，在267 nm处观察到38种化合物的分子离子，在800 nm处观察到30种化合物的分子离子，而在50种化合物中观察到27种。这些结果表明，在分子量测定和对这些化合物的更可靠分析方面，紫外激光优于近红外激光。为了研究最佳电离的条件，使用光谱特性（即 通过量子化学计算获得的中性和电离物质的激发能，电离能和吸收光谱）。当前报告的规则尚无法解释一些分子，因此需要其他规则来发展对飞秒电离过程的全面了解。从kabosu（使用在267和800 nm处发射的激光来测量柑桔。农药被清楚地分离并在二维显示器上进行了测量，尤其是对于在267 nm处测得的数据，这表明该技术将有可能用于对环境中的农药进行实际的痕量分析。
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