WO2024139181A1 - Adaptive collision induced dissociation method - Google Patents
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- 238000000034 method Methods 0.000 title claims abstract description 37
- 238000001360 collision-induced dissociation Methods 0.000 title claims abstract description 31
- 230000003044 adaptive effect Effects 0.000 title claims abstract description 19
- 150000002500 ions Chemical class 0.000 claims abstract description 57
- 238000005040 ion trap Methods 0.000 claims abstract description 35
- 230000005684 electric field Effects 0.000 claims abstract description 16
- 238000004949 mass spectrometry Methods 0.000 claims abstract description 13
- 230000007423 decrease Effects 0.000 claims abstract description 8
- 238000013467 fragmentation Methods 0.000 claims description 34
- 238000006062 fragmentation reaction Methods 0.000 claims description 34
- 230000003247 decreasing effect Effects 0.000 claims description 6
- 238000010494 dissociation reaction Methods 0.000 claims description 4
- 230000005593 dissociations Effects 0.000 claims description 4
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- 238000004458 analytical method Methods 0.000 abstract description 3
- 239000000126 substance Substances 0.000 abstract description 3
- SGTNSNPWRIOYBX-UHFFFAOYSA-N 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile Chemical compound C1=C(OC)C(OC)=CC=C1CCN(C)CCCC(C#N)(C(C)C)C1=CC=C(OC)C(OC)=C1 SGTNSNPWRIOYBX-UHFFFAOYSA-N 0.000 description 10
- 229960001722 verapamil Drugs 0.000 description 10
- WECUIGDEWBNQJJ-UHFFFAOYSA-N 4-phenylbutan-2-amine Chemical compound CC(N)CCC1=CC=CC=C1 WECUIGDEWBNQJJ-UHFFFAOYSA-N 0.000 description 9
- OKKJLVBELUTLKV-UHFFFAOYSA-N Methanol Chemical compound OC OKKJLVBELUTLKV-UHFFFAOYSA-N 0.000 description 6
- 230000000694 effects Effects 0.000 description 5
- 238000004885 tandem mass spectrometry Methods 0.000 description 5
- 230000000052 comparative effect Effects 0.000 description 4
- 239000012634 fragment Substances 0.000 description 4
- 239000000243 solution Substances 0.000 description 4
- 101000827703 Homo sapiens Polyphosphoinositide phosphatase Proteins 0.000 description 2
- 102100023591 Polyphosphoinositide phosphatase Human genes 0.000 description 2
- 230000009286 beneficial effect Effects 0.000 description 2
- 238000010846 tandem mass spectrometry analysis Methods 0.000 description 2
- 101001121408 Homo sapiens L-amino-acid oxidase Proteins 0.000 description 1
- 102100026388 L-amino-acid oxidase Human genes 0.000 description 1
- 101100233916 Saccharomyces cerevisiae (strain ATCC 204508 / S288c) KAR5 gene Proteins 0.000 description 1
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- 238000013461 design Methods 0.000 description 1
- 238000001514 detection method Methods 0.000 description 1
- 238000010586 diagram Methods 0.000 description 1
- 238000000132 electrospray ionisation Methods 0.000 description 1
- 238000002474 experimental method Methods 0.000 description 1
- 238000002347 injection Methods 0.000 description 1
- 239000007924 injection Substances 0.000 description 1
- 238000000534 ion trap mass spectrometry Methods 0.000 description 1
- 238000012986 modification Methods 0.000 description 1
- 230000004048 modification Effects 0.000 description 1
- 230000007935 neutral effect Effects 0.000 description 1
- 238000005457 optimization Methods 0.000 description 1
- 239000013076 target substance Substances 0.000 description 1
- 230000002123 temporal effect Effects 0.000 description 1
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- the present invention relates to the field of mass spectrometry detection, and more specifically, to an adaptive collision induced dissociation method.
- This method enables the mass spectrometer to perform tandem mass spectrometry analysis on different targets with universal and streamlined parameters, thereby improving its analytical capabilities.
- the adaptive collision-induced dissociation method comprises:
- the sample molecules are ionized using a nanoliter electrospray ionization source. After the target ions are screened and enter the ion trap, a pulse valve is used to introduce a changing gas pressure in the ion trap, so that the gas pressure in the cavity shows a gradually decreasing trend as shown in Figure 1.
- the collision-induced dissociation (CID) in the upper segment B of the pressure curve has a relatively good effect on the ions with high fragmentation energy requirements (m/z 455), but the fragmentation efficiency of the ions with low fragmentation energy requirements (m/z 150) decreases significantly, resulting in a significant loss of sensitivity.
- the mass spectrometry conditions of this comparative example are the same as those of Example 1, except that in this comparative example, during the mass spectrometry analysis of the sample molecules verapamil and 1-methyl-3-phenylpropylamine, no variable gas pressure was introduced into the ion trap.
- the fragmentation results are shown in FIG4 . It can be seen from FIG4 that the fragmentation conditions suitable for 1-methyl-3-phenylpropylamine (energy of 1.5V) will result in incomplete fragmentation when fragmenting verapamil. No daughter ions are observed; while the fragmentation conditions suitable for verapamil (energy of 4V) will lose some fragment peaks, lose selectivity, and reduce the fragmentation efficiency. Generally, too low energy will result in incomplete fragmentation, while too high energy will reduce the fragmentation efficiency.
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Abstract
The present application relates to the field of mass spectrometry, and specifically discloses an adaptive collision induced dissociation method. The method comprises: after target ions enter an ion trap, introducing changing gas pressure into the ion trap, so that the gas pressure in a cavity gradually decreases; and at the same time, when the gas pressure in the cavity decreases, continuously applying an alternating-current electric field to the ion trap, so that the target ions having different characteristics are dissociated with high efficiency within the same mass spectrometric scanning period. According to the method, an ion trap mass spectrometer can complete high-efficiency collision induced dissociation of molecules having different characteristics by using the same set of parameters within the same mass spectrometric scanning period. The method improves the analysis sensitivity of a mass spectrometry system, reduces the parameter complexity, and improves the performance of analysis for unknown substances.
Description
本申请涉及质谱检测领域，更具体地说，它涉及一种自适应碰撞诱导解离方法。The present invention relates to the field of mass spectrometry detection, and more specifically, to an adaptive collision induced dissociation method.
串联质谱是一种能大幅提升质谱分析能力的质谱技术，其通过对质量分析器筛选出来的母离子进行解离，进一步对产生的碎片离子进行分析，实现了更高的分析灵敏度并能对分子结构进行分析。串联质谱仪根据设计原理可以分为空间串联和时间串联，离子阱质谱仪是一种常见的可以进行多级时间串联质谱分析的质谱仪。Tandem mass spectrometry is a mass spectrometry technology that can greatly improve the mass spectrometry analysis capability. It dissociates the parent ions screened by the mass analyzer and further analyzes the generated fragment ions, achieving higher analytical sensitivity and being able to analyze the molecular structure. Tandem mass spectrometers can be divided into spatial tandem and temporal tandem according to their design principles. Ion trap mass spectrometer is a common mass spectrometer that can perform multi-stage time tandem mass spectrometry analysis.
串联质谱中有多种离子解离手段，其中最广为使用的是碰撞诱导解离(Collision induced Dissociation,CID)。CID通过提升离子的动能，并使其与中性气体分子碰撞，将动能转化为内能，从而引发离子碎裂。其优秀的碎裂效率，以及简洁的实现方式使得该方法成为了主流的串联质谱方案。There are many ion dissociation methods in tandem mass spectrometry, among which collision induced dissociation (CID) is the most widely used. CID increases the kinetic energy of ions and causes them to collide with neutral gas molecules, converting the kinetic energy into internal energy, thereby causing ion fragmentation. Its excellent fragmentation efficiency and simple implementation make this method a mainstream tandem mass spectrometry solution.
串联质谱的分析性能高度依赖离子解离的效率，但碰撞诱导解离方法中不同目标分子在碰撞诱导解离过程中所需要的条件不尽相同。在离子阱质谱仪中，碰撞诱导解离主要通过对阱中离子施加一组特定时长特定频率的二极交流电场来完成，该电场使离子获得足够的动能，从而离子阱中的背景气体碰撞完成碎裂。该流程中的气压，电场强度，以及离子阱势阱深度均能对碎裂效率产生明显的影响。The analytical performance of tandem mass spectrometry is highly dependent on the efficiency of ion dissociation, but the conditions required for collision-induced dissociation of different target molecules in the collision-induced dissociation method are not the same. In an ion trap mass spectrometer, collision-induced dissociation is mainly achieved by applying a set of dipole AC electric fields of a specific duration and frequency to the ions in the trap. This electric field enables the ions to obtain sufficient kinetic energy, so that the background gas in the ion trap collides and fragments. The gas pressure, electric field strength, and ion trap potential well depth in this process can have a significant impact on the fragmentation efficiency.
传统方法通常需要针对目标物质进行参数优化，但该方案导致调试复
杂度增加，同时在进行未知物筛查时无法实现。一些商业质谱设计了在多个质谱扫描周期内进行不同能量的碰撞诱导解离，并对结果进行平均的方案，但是该方案降低了分析效率，同时对灵敏度有负面影响。Traditional methods usually require parameter optimization for the target substance, but this approach leads to complex debugging. The complexity increases and it is impossible to screen for unknown substances. Some commercial mass spectrometers are designed to perform collision-induced dissociation at different energies in multiple mass spectrometry scanning cycles and average the results, but this scheme reduces the analysis efficiency and has a negative impact on sensitivity.
发明内容Summary of the invention
本申请提供一种自适应碰撞诱导解离方法，通过该方法能够使离子阱质谱仪在同一个质谱扫描周期内使用同一套参数完成对不同特性分子的高效率碰撞诱导解离。该方法提升了质谱系统的分析灵敏度，并降低了参数复杂程度，提升了对未知物的分析性能。The present application provides an adaptive collision-induced dissociation method, through which an ion trap mass spectrometer can use the same set of parameters to complete high-efficiency collision-induced dissociation of molecules with different characteristics within the same mass spectrometry scanning cycle. This method improves the analytical sensitivity of the mass spectrometry system, reduces the complexity of parameters, and improves the analytical performance of unknown substances.
本申请提供的一种自适应碰撞诱导解离方法，采用如下的技术方案：The present application provides an adaptive collision induced dissociation method, which adopts the following technical solution:
一种自适应碰撞诱导解离方法，其包括：An adaptive collision induced dissociation method, comprising:
在目标离子进入离子阱后，在所述离子阱中引入变化的气压，使得腔内气压逐渐降低；同时，在腔内气压下降过程中，持续对离子阱施加交流电场，使得不同特性的目标离子在同一组质谱参数下内完成解离。After the target ions enter the ion trap, a changing gas pressure is introduced into the ion trap so that the gas pressure in the cavity gradually decreases; at the same time, during the process of decreasing the gas pressure in the cavity, an AC electric field is continuously applied to the ion trap so that target ions with different characteristics are dissociated under the same set of mass spectrometry parameters.
进一步地，向所述离子阱中引入变化气压的方式为采用非连续大气接口或脉冲阀接入。Furthermore, the changing gas pressure is introduced into the ion trap by using a discontinuous atmospheric interface or a pulse valve.
进一步地，向所述离子阱中引入的气压呈连续变化趋势或者呈阶梯式变化趋势。Furthermore, the gas pressure introduced into the ion trap presents a continuous change trend or a step-wise change trend.
进一步地，离子阱中的腔内气压的有效碰撞解离气压在500mTorr-0.1mTorr范围内逐渐降低，可根据质量分析器中的背景气体种类选择。Furthermore, the effective collision dissociation pressure of the cavity pressure in the ion trap is gradually reduced in the range of 500 mTorr-0.1 mTorr, and can be selected according to the type of background gas in the mass analyzer.
进一步地，对所述离子阱施加交流电势的强度为0.1-50V，可根据具体质量分析器特性、气压范围、背景气体种类等参数进行优化选择。
Furthermore, the intensity of the AC potential applied to the ion trap is 0.1-50V, which can be optimized and selected according to parameters such as specific mass analyzer characteristics, gas pressure range, background gas type, etc.
进一步地，对所述离子阱施加交流电场的强度可进行随时间变化的调制，以控制所述目标离子的碎裂方式。Furthermore, the intensity of the AC electric field applied to the ion trap may be modulated over time to control the fragmentation mode of the target ions.
进一步地，对所述目标离子的运动频率和对应势阱深度可进行调控，以控制所述目标离子的碎裂模式。Furthermore, the movement frequency of the target ions and the corresponding potential well depth can be regulated to control the fragmentation mode of the target ions.
进一步地，对目标离子运动频率的调控方法包括：Furthermore, the method for regulating the target ion movement frequency includes:
调整射频电场的强度，按照下列公式计算，使目标离子的运动频率所对应的q值在0.05-0.5之间；
Adjust the intensity of the radio frequency electric field and calculate according to the following formula so that the q value corresponding to the movement frequency of the target ion is between 0.05 and 0.5;
Adjust the intensity of the radio frequency electric field and calculate according to the following formula so that the q value corresponding to the movement frequency of the target ion is between 0.05 and 0.5;
其中，r0为场半径、Ω为射频频率、V为射频电场强度、z为离子电荷数、m为离子质量、e为单位电荷、q为离子运动参量。Among them, r0 is the field radius, Ω is the RF frequency, V is the RF electric field strength, z is the ion charge number, m is the ion mass, e is the unit charge, and q is the ion motion parameter.
通过调整射频电场的强度，使得对于不同质荷比的离子,在给定离子阱参数(场半径r0，射频频率Ω)下均能在合适的势阱深度下进行碎裂，同时能够对碎片离子有效捕获。By adjusting the intensity of the radio frequency electric field, the The ions can be fragmented at a suitable potential well depth under given ion trap parameters (field radius r 0 , radio frequency Ω), and the fragment ions can be effectively captured.
综上所述，本申请具有以下有益效果：In summary, this application has the following beneficial effects:
本申请提供的自适应碰撞诱导解离方法，通过在离子阱中引入变化的气压，使得腔内气压呈逐渐降低的趋势。在不同气压下，离子碎裂的效果会产生差异：在高气压下，对离子进行碎裂时，对于易碎的离子能得到较好的碎裂效果，但对于碎裂能量需求高的离子则不能完全碎裂；而在气压下降过程中，对碎裂能量需要高的离子有较为良好的碎裂效果，但是对碎裂能量需求低的离子则出现了明显的碎裂效率下降，大幅损失灵敏度。基于此，本自适应碰撞诱导解离方法通过在腔内气压下降过程中，持续对离子施加一定强度的电场(即对离子施加一定强度的能量)，使得不同特性
的目标离子在各自合适的条件下能够完成解离，并且均能得到接近最优条件下的碎裂效率。The adaptive collision induced dissociation method provided by the present application introduces a changing air pressure in the ion trap so that the air pressure in the cavity tends to gradually decrease. Under different air pressures, the effect of ion fragmentation will be different: under high air pressure, when ions are fragmented, a better fragmentation effect can be obtained for fragile ions, but ions with high fragmentation energy requirements cannot be completely fragmented; and in the process of decreasing air pressure, ions with high fragmentation energy requirements have a relatively good fragmentation effect, but ions with low fragmentation energy requirements have a significant decrease in fragmentation efficiency and a significant loss of sensitivity. Based on this, the present adaptive collision induced dissociation method continuously applies a certain intensity of electric field to ions (i.e., applies a certain intensity of energy to ions) during the process of decreasing air pressure in the cavity, so that ions with different characteristics The target ions can be dissociated under their respective appropriate conditions, and the fragmentation efficiency can be close to the optimal conditions.
本申请相对于现有技术，有益效果为：Compared with the prior art, the present application has the following beneficial effects:
(1)在离子阱质谱中通过变化气压实现了自适应的碰撞诱导解离，使其适用于不同特性的分析目标。(1) Adaptive collision-induced dissociation is achieved by changing the gas pressure in ion trap mass spectrometry, making it suitable for analytical targets with different characteristics.
(2)通过对离子阱施加的电场强度的调节，以及离子阱势阱深度的调整，可进一步优化离子的碎裂特性，提升碰撞诱导解离的性能。(2) By adjusting the electric field strength applied to the ion trap and the potential well depth of the ion trap, the fragmentation characteristics of the ions can be further optimized and the performance of collision-induced dissociation can be improved.
(3)该方法使质谱仪能够以普适精简的参数对不同的目标物进行串联质谱分析，提升其分析能力。(3) This method enables the mass spectrometer to perform tandem mass spectrometry analysis on different targets with universal and streamlined parameters, thereby improving its analytical capabilities.
图1是本发明实施例1中的离子阱腔内气压变化的气压曲线；FIG1 is a pressure curve showing the pressure change in the ion trap cavity in Example 1 of the present invention;
图2是本发明实施例1中的维拉帕米和1-甲基-3-苯基丙胺在A段的变化气压下得到的串联质谱谱图；Fig. 2 is a tandem mass spectrogram of verapamil and 1-methyl-3-phenylpropylamine in Example 1 of the present invention obtained under the varying gas pressure of section A;
图3是本发明实施例1中的维拉帕米和1-甲基-3-苯基丙胺在变化气压以及施加电场的碎裂条件下得到的串联质谱谱图；Fig. 3 is a tandem mass spectrogram obtained under fragmentation conditions of verapamil and 1-methyl-3-phenylpropylamine in Example 1 of the present invention under varying gas pressure and applied electric field;
图4是本发明对比例1中的维拉帕米和1-甲基-3-苯基丙胺在稳定气压下得到的串联质谱谱图。4 is a tandem mass spectrometry diagram of verapamil and 1-methyl-3-phenylpropylamine in Comparative Example 1 of the present invention obtained under a stable gas pressure.
下面将结合实施例对本发明的实施方案进行详细描述，但是本领域技术人员将会理解，下列实施例仅用于说明本发明，而不应视为限制本发明
的范围，实施例中未注明的具体条件，按照常规条件或者制造商建议的条件进行，所用试剂或仪器未注明生产厂商者，均为可以通过市售购买获得的常规产品。The embodiments of the present invention will be described in detail below with reference to the examples, but those skilled in the art will appreciate that the following examples are only used to illustrate the present invention and should not be construed as limiting the present invention. The specific conditions not specified in the examples were carried out according to conventional conditions or the conditions recommended by the manufacturer. The reagents or instruments used without indicating the manufacturer were all conventional products that can be purchased commercially.
以下对本发明的具体实施方式进行详细说明。应当理解的是，此处所描述的具体实施方式仅用于说明和解释本发明，并不用于限制本发明。The specific embodiments of the present invention are described in detail below. It should be understood that the specific embodiments described herein are only used to illustrate and explain the present invention, and are not used to limit the present invention.
实施例1Example 1
本实施例提供一种自适应碰撞诱导解离方法，所使用的仪器为线性离子阱质谱仪，进行质谱分析的样品分子为维拉帕米和1-甲基-3-苯基丙胺。具体参数如下：This embodiment provides an adaptive collision-induced dissociation method, the instrument used is a linear ion trap mass spectrometer, and the sample molecules for mass spectrometry analysis are verapamil and 1-methyl-3-phenylpropylamine. The specific parameters are as follows:
配置维拉帕米浓度为10ug/mL的甲醇溶液和1-甲基-3-苯基丙胺浓度为1ug/mL的甲醇溶液。对两种样品分别优化仪器的进样量参数至34,38，并在后续实验中保持不变。离子选择的q值为0.72，离子碎裂的q值为0.25，离子选择的能量设置使用仪器默认，质量范围设置为50-1000Th。碎裂气压及碎裂能量见下文详述。Prepare a methanol solution with a concentration of 10ug/mL of verapamil and a methanol solution with a concentration of 1ug/mL of 1-methyl-3-phenylpropylamine. Optimize the instrument injection volume parameters to 34 and 38 for the two samples, respectively, and keep them unchanged in subsequent experiments. The q value of ion selection is 0.72, the q value of ion fragmentation is 0.25, the energy setting of ion selection uses the instrument default, and the mass range is set to 50-1000Th. The fragmentation pressure and fragmentation energy are described in detail below.
该自适应碰撞诱导解离方法包括：The adaptive collision-induced dissociation method comprises:
(1)利用纳升电喷雾电离源对样品分子进行离子化，筛选出目标离子进入离子阱后，通过使用脉冲阀在离子阱中引入变化的气压，使得腔内气压呈现如图1所示的逐渐下降的趋势。(1) The sample molecules are ionized using a nanoliter electrospray ionization source. After the target ions are screened and enter the ion trap, a pulse valve is used to introduce a changing gas pressure in the ion trap, so that the gas pressure in the cavity shows a gradually decreasing trend as shown in Figure 1.
如图1、图2所示，在图1的气压曲线中，A段的气压高，在给定的碎裂能量下，这种高气压下对离子进行碎裂时对易碎的离子(如1-甲基-3-苯基丙胺的离子m/z 150)能得到较好的碎裂效果，但对需要碎裂能量较高的离子(如维拉帕米的离子m/z 455)则不能完全碎裂。而在低气压(气
压曲线上B段)下执行碰撞诱导解离，对碎裂能量需要高的离子(m/z 455)有较为良好的效果，但是对碎裂能量需求低的离子(m/z 150)则出现了明显的碎裂效率下降，大幅损失灵敏度。As shown in Figures 1 and 2, in the pressure curve of Figure 1, the pressure in section A is high. Under a given fragmentation energy, when ions are fragmented under this high pressure, a good fragmentation effect can be obtained for fragile ions (such as the ion m/z 150 of 1-methyl-3-phenylpropylamine), but ions requiring higher fragmentation energy (such as the ion m/z 455 of verapamil) cannot be completely fragmented. The collision-induced dissociation (CID) in the upper segment B of the pressure curve has a relatively good effect on the ions with high fragmentation energy requirements (m/z 455), but the fragmentation efficiency of the ions with low fragmentation energy requirements (m/z 150) decreases significantly, resulting in a significant loss of sensitivity.
(2)在腔内气压下降过程中(气压曲线上的C段)，持续对离子阱施加交流电场，即对离子施加1.5V的能量，使得维拉帕米和1-甲基-3-苯基丙胺的两种离子能够在各自合适的条件下完成解离，并且均能得到接近最优条件下的碎裂效率，如图3所示。(2) During the process of decreasing the pressure in the cavity (section C on the pressure curve), an AC electric field is continuously applied to the ion trap, that is, an energy of 1.5 V is applied to the ions, so that the two ions of verapamil and 1-methyl-3-phenylpropylamine can be dissociated under their respective appropriate conditions, and both can obtain fragmentation efficiencies close to the optimal conditions, as shown in FIG3 .
对比例1Comparative Example 1
本对比例的质谱条件与实施例1相同，不同之处在于本对比例在进行样品分子维拉帕米和1-甲基-3-苯基丙胺的质谱分析过程中，没有在离子阱中引入变化的气压。The mass spectrometry conditions of this comparative example are the same as those of Example 1, except that in this comparative example, during the mass spectrometry analysis of the sample molecules verapamil and 1-methyl-3-phenylpropylamine, no variable gas pressure was introduced into the ion trap.
其碎裂结果如图4所示，由图4可见，适合1-甲基-3-苯基丙胺的碎裂条件(能量为1.5V)在碎裂维拉帕米时会使得碎裂不完全。观察不到子离子；而适合维拉帕米的碎裂条件(能量为4V)则会损失部分碎片峰，损失选择性，同时降低碎裂效率。通常情况下过低的能量会使得碎裂发生不完全，而过高的能量会使得碎裂效率降低。The fragmentation results are shown in FIG4 . It can be seen from FIG4 that the fragmentation conditions suitable for 1-methyl-3-phenylpropylamine (energy of 1.5V) will result in incomplete fragmentation when fragmenting verapamil. No daughter ions are observed; while the fragmentation conditions suitable for verapamil (energy of 4V) will lose some fragment peaks, lose selectivity, and reduce the fragmentation efficiency. Generally, too low energy will result in incomplete fragmentation, while too high energy will reduce the fragmentation efficiency.
本具体实施例仅仅是对本申请的解释，其并不是对本申请的限制，本领域技术人员在阅读完本说明书后可以根据需要对本实施例做出没有创造性贡献的修改，但只要在本申请的权利要求范围内都受到专利法的保护。
This specific embodiment is merely an explanation of the present application and is not a limitation of the present application. After reading this specification, those skilled in the art may make modifications to the present embodiment without any creative contribution as needed. However, as long as it is within the scope of the claims of the present application, it shall be protected by the patent law.
Claims (8)
- 一种自适应碰撞诱导解离方法，其特征在于，其包括：An adaptive collision induced dissociation method, characterized in that it comprises:在目标离子进入离子阱后，在所述离子阱中引入变化的气压，使得腔内气压逐渐降低；同时，在腔内气压下降过程中，持续对离子阱施加交流电势，使得不同特性的目标离子在同一组质谱参数下完成解离。After the target ions enter the ion trap, a changing gas pressure is introduced into the ion trap so that the gas pressure in the cavity gradually decreases; at the same time, during the process of decreasing the gas pressure in the cavity, an alternating potential is continuously applied to the ion trap so that target ions with different characteristics are dissociated under the same set of mass spectrometry parameters.
- 根据权利要求1所述的自适应碰撞诱导解离方法，其特征在于，向所述离子阱中引入变化气压的方式为采用非连续大气接口或脉冲阀接入。The adaptive collision induced dissociation method according to claim 1 is characterized in that the method of introducing the changing gas pressure into the ion trap is to use a discontinuous atmospheric interface or a pulse valve to access it.
- 根据权利要求1所述的自适应碰撞诱导解离方法，其特征在于，向所述离子阱中引入的气压呈连续变化趋势或者呈阶梯式变化趋势。The adaptive collision induced dissociation method according to claim 1 is characterized in that the gas pressure introduced into the ion trap presents a continuous change trend or a step-wise change trend.
- 根据权利要求1所述的自适应碰撞诱导解离方法，其特征在于，离子阱中所述腔内气压的有效碰撞解离气压在500mTorr–0.1mTorr范围内逐渐降低。The adaptive collision induced dissociation method according to claim 1 is characterized in that the effective collision dissociation gas pressure of the intracavity gas pressure in the ion trap gradually decreases within the range of 500 mTorr–0.1 mTorr.
- 根据权利要求1所述的自适应碰撞诱导解离方法，其特征在于，对所述离子阱施加交流电势的强度为0.1-50V。The adaptive collision induced dissociation method according to claim 1 is characterized in that the intensity of the alternating potential applied to the ion trap is 0.1-50V.
- 根据权利要求5所述的自适应碰撞诱导解离方法，其特征在于，对所述离子阱施加交流电场的强度可进行随时间变化的调制，以控制所述目标离子的碎裂方式。The adaptive collision induced dissociation method according to claim 5 is characterized in that the intensity of the AC electric field applied to the ion trap can be modulated over time to control the fragmentation mode of the target ions.
- 根据权利要求1所述的自适应碰撞诱导解离方法，其特征在于，对所述目标离子的运动频率和对应势阱深度进行调控，以控制所述目标离子的碎裂模式。The adaptive collision induced dissociation method according to claim 1 is characterized in that the movement frequency and the corresponding potential well depth of the target ions are regulated to control the fragmentation mode of the target ions.
- 根据权利要求7所述的自适应碰撞诱导解离方法，其特征在于，对所述目标离子运动频率的调控方法包括：The adaptive collision induced dissociation method according to claim 7, characterized in that the method for regulating the movement frequency of the target ions comprises:调整射频电场的强度，按照下列公式计算，使所述目标离子的运动频 率所对应的q值在0.05-0.5之间；
Adjust the intensity of the radio frequency electric field and calculate according to the following formula to make the movement frequency of the target ions The q value corresponding to the rate is between 0.05-0.5;
其中，r0为场半径、Ω为射频频率、V为射频电场强度、z为离子电荷数、m为离子质量、e为单位电荷、q为离子运动参量。 Among them, r0 is the field radius, Ω is the RF frequency, V is the RF electric field strength, z is the ion charge number, m is the ion mass, e is the unit charge, and q is the ion motion parameter.
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| JP2007121178A (en) * | 2005-10-31 | 2007-05-17 | Shimadzu Corp | Mass analyzer |
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| CN116124873A (en) * | 2022-12-29 | 2023-05-16 | 清谱科技(苏州)有限公司 | Self-adaptive collision-induced dissociation method |
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| JP2007121178A (en) * | 2005-10-31 | 2007-05-17 | Shimadzu Corp | Mass analyzer |
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| CN105551928A (en) * | 2015-12-28 | 2016-05-04 | 中国计量科学研究院 | Efficient simple molecules/ions reaction mass spectrometry apparatus and operation method therefor |
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