Department of Chemistry, University of Florida, P.O. Box 117200, Gainesville, FL, 32611-7200, USA.
J Am Soc Mass Spectrom. 2016 May;27(5):757-66. doi: 10.1007/s13361-016-1366-4. Epub 2016 Mar 14.
The detailed chemical information contained in the vibrational spectrum of a cryogenically cooled analyte ion would, in principle, make infrared (IR) ion spectroscopy a gold standard technique for molecular identification in mass spectrometry. Despite this immense potential, there are considerable challenges in both instrumentation and methodology to overcome before the technique is analytically useful. Here, we discuss the promise of IR ion spectroscopy for small molecule analysis in the context of metabolite identification. Experimental strategies to address sensitivity constraints, poor overall duty cycle, and speed of the experiment are intimately tied to the development of a mass-selective cryogenic trap. Therefore, the most likely avenues for success, in the authors' opinion, are presented here, alongside alternative approaches and some thoughts on data interpretation.
低温冷却分析物离子振动光谱中包含的详细化学信息，原则上使红外（IR）离子光谱成为质谱中分子识别的黄金标准技术。尽管有巨大的潜力，但在该技术具有分析用途之前，在仪器和方法学方面都存在相当大的挑战。在这里，我们根据代谢物鉴定的情况，讨论了 IR 离子光谱在小分子分析中的应用前景。解决灵敏度限制、整体效率差和实验速度的实验策略与质量选择低温陷阱的开发密切相关。因此，作者认为，这里介绍了最有可能成功的途径，以及其他方法和一些数据解释思路。
