通过 Orbitrap 质量分析仪观察到的短暂衰变档案对小分子的碰撞截面测量
1Department of Geology, University of Maryland, College Park, Maryland, USA.
Rapid communications in mass spectrometry : RCM
|August 26, 2024
概括
这项研究提出了一种新的方法,用于测量小型有机分子的碰撞横截面 (CCS),使用Orbitrap质谱法. 该技术提高了低质量分析物的精度,这对于详细的化学分析至关重要.
科学领域:
- 分析化学 分析化学
- 物理化学 物理化学
- 质谱测量质量谱测量
背景情况:
- 碰撞截面 (CCS) 是一个关键的分子性质.
- 使用Orbitrap质谱仪测量低质量分子 (<2000 Da,<500 Å2) 的CCS具有挑战性.
- 现有的方法在高轴频率和小离子横截面形状的小方差方面扎.
研究的目的:
- 开发和验证一种方法,使用Orbitrap MS.来导出低质量的有机化合物的CCS值.
- 评估小分子CCS测量的准确性和精度.
- 确定影响CCS测量可靠性的因素.
主要方法:
- 在商用Orbitrap质谱仪上获取低质量分析物的质谱.
- 使用快速里叶变换 (FFT) 和短时间里叶变换 (StFFT) 处理短暂信号.
- 导出衰变常数并使用内部标准将其转换为CCS值.
主要成果:
- 对聚合物碎片和氨基酸等小分子的CCS值的成功导出.
- 通过适当的内部标准选择,实现了CCS测量平均 ±1%的误差.
- 高信号噪声比 (S/N) 对于实现≤0.5%的不确定性至关重要.
结论:
- 开发的FFT/StFFT方法可以通过Orbitrap MS.准确地确定低质量分子的CCS.
- 空间电荷效应可能会限制测量精度.
- 需要进一步优化内部标准选择,以提高小分子的CCS测量精度.
相关概念视频
Tandem Mass Spectrometry
932
Tandem mass spectrometry is a technique that uses multiple mass analyzers in series to obtain a higher selectivity and signal-to-noise ratio for the analyte. Instruments with multiple analyzers separated by an interaction cell enable secondary fragmentation and selected study of the fragment ions.
Secondary fragmentations occur in the interaction cell and can be induced by various factors. Fragmentation induced by collision with inert gases, such as N2, Ar, He, etc., is called collision-induced...
Secondary fragmentations occur in the interaction cell and can be induced by various factors. Fragmentation induced by collision with inert gases, such as N2, Ar, He, etc., is called collision-induced...
932
Mass Analyzers: Common Types
579
The quadrupole mass analyzer consists of four cylindrical metal rods arranged in a diamond carrying a DC voltage and a radio-frequency AC voltage. The motion of ions through the quadrupole depends on the field strength, causing only ions of a certain m/z to resonate successfully and strike the detector at a given field strength. Though the transmission rate for these analyzers is high, the exact elemental composition of the sample is not determined because of low resolution; however, they are...
579
Mass Spectrometry: Complex Analysis
736
Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
736
High-Resolution Mass Spectrometry (HRMS)
1.3K
The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For...
1.3K
Mass Analyzers: Overview
620
The mass analyzer is a crucial component of the mass spectrometer. In the ionization chamber, the vaporized sample is bombarded with a high-energy electron beam to generate a radical cation and further fragment into neutral molecules, radicals, and cations. A series of negatively charged accelerator plates accelerate the cations into the mass analyzer. The mass analyzer separates ions according to their mass-to-charge (m/z) ratios and then directs them to the detector. The common types of mass...
620
Mass Spectrometers
5.3K
This lesson details the instrumentation of a mass spectrometer—a physical instrument to perform mass spectrometry on analyte molecules and record the characteristic mass spectra. This is achieved via three chief functions:
5.3K


