WO2022017549A2 - 一种用于药物布洛芬分子手性结构分析的试剂和方法 - Google Patents

一种用于药物布洛芬分子手性结构分析的试剂和方法 Download PDF

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WO2022017549A2
WO2022017549A2 PCT/CN2021/119472 CN2021119472W WO2022017549A2 WO 2022017549 A2 WO2022017549 A2 WO 2022017549A2 CN 2021119472 W CN2021119472 W CN 2021119472W WO 2022017549 A2 WO2022017549 A2 WO 2022017549A2
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ibuprofen
ion
chiral structure
reagent
chiral
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WO2022017549A3 (zh
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方向
戴新华
江游
彭涛
徐福兴
古连城
吴芳玲
丁传凡
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中国计量科学研究院
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    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N27/00—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means
    • G01N27/62—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating the ionisation of gases, e.g. aerosols; by investigating electric discharges, e.g. emission of cathode
    • G01N27/622—Ion mobility spectrometry
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
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    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N27/00—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means
    • G01N27/62—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating the ionisation of gases, e.g. aerosols; by investigating electric discharges, e.g. emission of cathode
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N27/00—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means
    • G01N27/62—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating the ionisation of gases, e.g. aerosols; by investigating electric discharges, e.g. emission of cathode
    • G01N27/622—Ion mobility spectrometry
    • G01N27/623—Ion mobility spectrometry combined with mass spectrometry

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  • the invention relates to the technical field of analysis and testing, in particular to a reagent and a method for analyzing the molecular chiral structure of drug ibuprofen.
  • Molecules are the most basic building blocks of the material world, and chirality is one of the basic properties of molecules.
  • a chiral molecule refers to a molecule that has two stereoisomers that are both physical and mirror images of each other, one of which is called a left-handed body, and the other is called a right-handed body.
  • the left-handed body and the right-handed body are like the left hand and the right hand of a human being, they are symmetrical, but they cannot be superimposed.
  • Ibuprofen is a common antipyretic and analgesic drug, belonging to non-steroidal anti-inflammatory drugs. Clinically, it is widely used for analgesic and anti-inflammatory effects.
  • Ibuprofen molecule is a chiral molecule, its molecule contains a chiral molecule, its molecular formula and structural formula are:
  • the molecular formula is:
  • a common method for molecular analysis of chiral drugs is to first separate molecules containing two or more chiral structures, that is, chiral drug resolution.
  • Commonly used separation methods are: chiral high performance liquid chromatography, chiral capillary electrophoresis, chiral gas chromatography, chiral thin layer chromatography, circular dichroism, nuclear magnetic resonance and supercritical fluid chromatography. Then, perform structural analysis on the separated molecular system containing only a single chiral structure to obtain its chiral properties, that is, it belongs to left-handed or right-handed.
  • Another method for analyzing the structure of chiral molecules is the so-called derivatization, that is, using chiral molecules with different structures and other molecules, such as different reactivity or reaction processes of chiral reagents, to produce different product molecules, and then Different reaction products were analyzed to obtain the structure and content information of the original chiral molecules.
  • the existing methods for analyzing the structure of chiral molecules must first separate or derivatize the chiral molecules before they can be analyzed.
  • Mass spectrometry is the most commonly used molecular or atomic mass analysis technology. It can quickly analyze the mass-to-charge ratio or mass information of different atoms or molecules, but for chiral molecules with exactly the same mass-to-charge ratio and molecular mass Powerless.
  • the ion mobility spectrometry technique can analyze molecules with different structures, such as isomers. Its working principle and process are: firstly generate ions of the sample to be analyzed, and then introduce these ions into the ion mobility spectrum. Mobility spectroscopy was performed under low vacuum conditions. In the ion mobility spectrum, the sample ions do directional motion under the action of the electric field, and continuously collide with the inactive working gases in the mobility spectrum, such as nitrogen, argon, etc.
  • the purpose of the present invention is to overcome the defects of the prior art, and to provide a reagent and method for analyzing the molecular chiral structure of the drug ibuprofen.
  • the technical scheme for realizing the object of the present invention is: a reagent for analyzing the molecular chiral structure of drug ibuprofen, the reagent comprises ibuprofen molecule mixed with solvent, gamma cyclodextrin and divalent calcium ion-containing reagent. compound.
  • the concentration of the ibuprofen molecule in the above technical solution is 10 -12 to 1 mol/liter
  • the concentration of the gamma cyclodextrin is 10 -12 to 1 mol/liter
  • the concentration of the compound containing divalent calcium ions is 10 -12 to 1 mol/liter.
  • the concentration is 10 ⁇ 12 to 1 mol/liter
  • the relative ratio between the ibuprofen molecule, the gamma cyclodextrin and the compound containing divalent calcium ions is not limited.
  • the ibuprofen molecule described in the above technical solution has two chiral structures of left-handed R and right-handed S.
  • the compound containing divalent calcium ions described in the above technical solution is one of salts containing calcium ions, alkalis containing calcium ions, and complexes containing calcium ions.
  • the gamma cyclodextrins described in the above technical solutions also include derivatives of gamma cyclodextrins.
  • the solvent described in the above technical solution is two or more of water, methanol, ethanol, ether, acetonitrile and acetone.
  • a method for analyzing the molecular chiral structure of drug ibuprofen comprising the following steps:
  • S3 measure the ion collision cross section of the monovalent positive ion of ibuprofen-gamma cyclodextrin-calcium ion, or use the experimental device of ion mobility spectrometry to measure the monovalent positive ion of ibuprofen-gamma cyclodextrin-calcium ion
  • the ion mobility spectrum of the ions can obtain the chiral structure information of the ibuprofen molecule.
  • the ion source is one of an electrospray ionization ion source, a laser-assisted desorption ionization ion source, and a desorption electrospray ionization ion source.
  • the mixture of ibuprofen-gamma cyclodextrin-calcium ion is in liquid state or in solid state prepared from liquid state according to experimental analysis.
  • the experimental device described in the above technical solution is one of the ion mobility spectrum and the composite experimental device including the ion mobility spectrum.
  • the present invention has following positive effect:
  • the present invention provides a new reagent and method for analyzing the molecular chiral structure of ibuprofen, which simply combines the molecular sample of ibuprofen with ⁇ -cyclodextrin, a compound containing calcium ions (Ca 2+ ).
  • the method provided by the present invention can also obtain information on their relative contents.
  • the method for analyzing the chiral structure of the ibuprofen molecule provided by the present invention is simple, does not require pre-chiral separation or derivatization of the ibuprofen chiral molecule, and the chemical samples used are easy to obtain, cheap and free of charge. Poisonous and harmless. Compared with the commonly used methods, it has many advantages.
  • Figure 1 is the molecular structural formula of ibuprofen, the position of the chiral carbon is shown in the figure,
  • Fig. 2 is a schematic diagram of the molecular structure of cyclodextrin
  • FIG. 3 is a schematic diagram showing the results of ion mobility spectra of two chiral molecule samples of ibuprofen and ⁇ CD ( ⁇ -cyclodextrin), a compound containing calcium ions (Ca 2+ ) obtained in Example 1 of the present invention.
  • the experimental device used in the present invention is a commercial ion mobility spectrometry-mass spectrometry instrument.
  • the TIMS-TOFMS instrument produced by Bruke Company analyzes the chiral structure of the ibuprofen molecule, and the experimental result is shown in FIG. 3 . It is clear from the experimental results that ibuprofen molecules with different chiral structures can be easily distinguished.
  • the used compound containing calcium ions can be salts containing calcium ions, such as: CaCl 2 , Ca(NO 3 ) 2 , CaSO 4 calcium halide (except F), calcium nitrate, calcium chlorate, perchloric acid Calcium, calcium bicarbonate, calcium dihydrogen phosphate, calcium gluconate, calcium hydrogen phosphate, calcium lactate, etc., it can also be an alkali containing calcium ions, such as Ca(OH) 2 , or a complex containing ions, etc. Compounds that can give Ca 2+ in aqueous solutions.
  • the used ⁇ -cyclodextrin refers to a common chemical reagent whose molecular formula is: C 48 H 80 O 40 , its molecular weight is 1297.12, and has the molecular structure shown in FIG. 2 .
  • ESI electrospray ionization
  • the obtained mass spectrum signal intensity and ion mobility spectrum signal intensity are related to the concentration of the sample in the solution, according to the ion mobility spectrum intensity corresponding to a certain chiral 3-aminomethyl-5-methylhexanoic acid molecule , the content of such chiral ibuprofen molecules contained in the solution can be calculated, that is, quantitative analysis can be realized.
  • a solution of suitable concentration can be prepared according to needs, that is, the concentration of calcium chloride (CaCl 2 ), ⁇ -cyclodextrin ( ⁇ CD) and ibuprofen molecules in the solution can be determined according to the needs of the experiment.
  • concentration of each compound in the mixed solution may be the same or different.
  • the type and relative content of the solvent used in the solution can be prepared according to the needs, that is, it can be a mixture of acetonitrile and methanol, or a mixture of water, acetonitrile and methanol, or water, methanol, ethanol, Mixing of any two or more reagents in common reagents such as acetonitrile, propionitrile, formic acid, acetone, etc., and the ratio of each reagent in the mixed solution is not limited, which is determined according to experimental needs.

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Abstract

本发明涉及一种用于药物布洛芬分子手性结构分析的试剂和方法，所述试剂包括混合有溶剂的布洛芬分子、伽马环糊精和含有二价钙离子的化合物。包括：首先将布洛芬手性分子样品和伽马环糊精(γCD)，含有钙离子的化合物配制成溶液，然后再利用离子产生装置，如电喷雾电离离子化装置制备和产生"布洛芬-γCD-钙离子"的复合物一价离子，最后利用可以测量离子碰撞截面的离子迁移谱装置测量含有不同手性布洛芬分子的"布洛芬-γCD-钙离子"的复合物一价离子的离子迁移谱，即可获得样品中所含有的布洛芬分子的手性结构特性。本发明给出的分析试剂和方法简单，准确，分析速度快等优点，比现有的布洛芬分子的手性分析方法都简单。

Description

一种用于药物布洛芬分子手性结构分析的试剂和方法 技术领域
本发明涉及分析测试技术领域，具体涉及一种用于药物布洛芬分子手性结构分析的试剂和方法。
背景技术
分子是物质世界的最基本组成单元，而手性(Chirality)是分子的基本属性之一。手性分子是指一种分子存在着互为实物和镜像关系两个立体异构体，其中一个被称之为左旋体，另一个被称之为右旋体。左旋体和右旋体好比人的左手和右手，左右对称，但不能叠合。
很多重要的生物大分子，如氨基酸，多肽，蛋白质、多糖、核酸和酶等，几乎全是手性分子。目前所用的药物分子很大一部分也具有手性，被称之为手性药物。手性药物往往通过与体内生物大分子之间严格的手性匹配与分子识别实现其药物作用。因此，不同的手性分子由于与体内的手性分子会发生不同的相互作用而表现出不同的功能，使得它们在人体内的药理活性、代谢过程及毒性存在显著的差异。一个异构体可能是有效的，而另一个异构体可能是无效甚至是有害的。在临床治疗方面，服用对映体纯的手性药物不仅可以排除由于无效(不良)对映体所引起的毒副作用，还能减少药剂量和人体对无效对映体的代谢负担，对药物动力学及剂量有更好的控制，提高药物的专一性。因而具有十分广阔的市场前景和巨大的经济价值。因此，了解药物分子的手性对于了解其在体内的作用非常重要，也是当前手性药物研究中的关键问题之一。
布洛芬(Ibuprofen)是一种常见的解热镇痛类药物，属于非甾体抗炎药。临床上被广泛用于镇痛和抗炎等作用。
布洛芬分子是一种手性分子，它的分子中包含一个手性分子，它的分子式和结构式分别为：
分子式：C 13H 18O 2
分子结构式为：
Figure PCTCN2021119472-appb-000001
图1，布洛芬分子结构式，手性碳的位置如图所示
不同的布洛芬手性分子的药效差别很大，现有研究结果表明，其S-型的布洛芬分子比R-型的布洛芬分子的药效强28倍。因此，在制药过程中，分析和了解生产过程中所获得的布洛芬药物中的手性特性，以及所含有的每种手性分子的相对含量是非常必要的。
目前有关手性药物分子分析的常用方法为，首先对含有二种或多种手性结构的分子进行分离，即手性药物拆分。常用的分离方法有：手性高效液相色谱法，手性毛细管电泳法，手性气相色谱法，手性薄层色谱法，圆二色谱法、核磁共振法和超临界流体色谱法等。然后再对被拆分的只含有单一手性结构的分子体系进行结构分析，获得其手性性质，即属于左旋或右旋。另外一种进行手性分子结构分析的方法即所谓的衍生化，即利用具有不同结构的手性分子与其它分子，如手性试剂的不同反应活性或反应过程，产生不同的产物分子，然后再对不同的反应产物进行分析，获得原来手性分子的结构和含量信息。总之，现有的手性分子结构分析方法都必须先对手性分子进行分离或衍生化，然后才能进行分析。
质谱分析技术是目前最常用的一种分子或原子质量分析技术，它可以快速地分析出不同原子或分子的质荷比或质量信息，但对于质荷比和分子质量完全相同的手性分子完全无能为力。离子迁移谱技术可以对具有不同结构的分子，如同分异构体进行分析，它的工作原理和过程为，首先产生待分析样品的离子，然后将这些离子引入到离子迁移谱中，一般的离子迁 移谱工作在低真空条件下。在离子迁移谱中，样品离子在电场作用下做定向运动，并与迁移谱中的非活泼工作气体，如氮气，氩气等发生不断的碰撞。不同的离子由于其不同的碰撞截面而不同的迁移率而被分离。所以根据获得的被分离的离子迁移谱可以得到离子或分子结构的信息。但由于目前的离子迁移谱的分辨能力都较低，对于分子结构差别较小，或分子本身就很小，如有机小分子，小分子药物等，离子迁移谱技术仍然无法分析它们的结构差别，特别是不同的手性结构差异，如布洛芬分子的手性结构分析。
发明内容
本发明的目的是克服现有技术的缺陷，提供一种用于药物布洛芬分子手性结构分析的试剂和方法。
实现本发明目的的技术方案是：一种用于药物布洛芬分子手性结构分析的试剂，所述试剂包括混合有溶剂的布洛芬分子、伽马环糊精和含有二价钙离子的化合物。
上述技术方案所述布洛芬分子的浓度为10 -12～1摩尔/升，所述伽马环糊精的浓度为10 -12～1摩尔/升，所述含有二价钙离子的化合物的浓度为10 -12～1摩尔/升，所述布洛芬分子、所述伽马环糊精和含有二价钙离子的化合物之间的相对比例不受限制。
上述技术方案所述布洛芬分子具有左旋R和右旋S二种手性结构。
上述技术方案所述含有二价钙离子的化合物为含钙离子的盐、含钙离子的碱、含钙离子的络合物中的一种。
上述技术方案所述伽马环糊精还包括伽马环糊精的衍生物。
上述技术方案所述溶剂为水、甲醇、乙醇、***、乙腈、丙酮中的两种或多种。
一种用于药物布洛芬分子手性结构分析的方法，具有以下步骤：
S1,将需要进行手性结构分析的布洛芬分子、伽马环糊精和含有二价钙离子化合物添加溶剂后配制成布洛芬-伽马环糊精-钙离子的混合物；
S2,将布洛芬-伽马环糊精-钙离子的混合物使用离子源产生布洛芬-伽 马环糊精-钙离子的一价正离子，即(C 13H 18O 2-γCD-Ca 2+-H +) +，质荷比为M/e＝1541.5th；
S3,测量布洛芬-伽马环糊精-钙离子的一价正离子的离子碰撞截面，或使用离子迁移谱的实验装置测量布洛芬-伽马环糊精-钙离子的一价正离子的离子迁移谱，即可获得布洛芬分子的手性结构信息。
上述技术方案S1中，所述离子源为电喷雾电离离子源、激光辅助脱附电离离子源和解吸电喷雾电离离子源中的一种。
上述技术方案S1中，所述布洛芬-伽马环糊精-钙离子的混合物为液态或为根据实验分析需要从液态制备的固态。
上述技术方案所述实验装置为离子迁移谱、包含离子迁移谱的复合型实验装置中的一种。
采用上述技术方案后，本发明具有以下积极的效果：
本发明给出了一种新的关于布洛芬分子手性结构分析的试剂和方法，它通过简单地将布洛芬分子样品与γ-环糊精，含钙离子(Ca 2+)的化合物，如CaCl 2等，配制成混合溶液，然后利用电喷雾电离产生“布洛芬-γCD-Ca 2+”的非共价复合物离子，即(C 13H 18O 2-γCD-Ca 2+-H +) +,然后再利用离子迁移谱技术测量它的离子迁移谱，即可获得布洛芬分子的手性结构信息。更进一步，若样品中同时含有左旋和右旋的布洛芬分子，本发明给出的方法还可获得它们相对含量的信息。
本发明所给出的布洛芬分子的手性结构分析方法简单，无需对布洛芬手性分子进行预先的手性拆分或衍生化，其所用的化学样品很容易获得，价格便宜，无毒无害。相比与目前常用的方法具有很多优点。
附图说明
为了使本发明的内容更容易被清楚地理解，下面根据具体实施例并结合附图，对本发明作进一步详细的说明，其中
图1为布洛芬分子结构式，手性碳的位置如图所示，
图2为环糊精分子结构示意图，
图3为本发明实施例1中所获得布洛芬二种手性分子样品与γCD(γ- 环糊精)，含钙离子(Ca 2+)的化合物的离子迁移谱结果示意图。
具体实施方式
为使本发明实施例的目的、技术方案和优点更加清楚，下面将结合本发明实施例中的附图，对本发明实施例中的技术方案进行清楚、完整地描述，显然，所描述的实施例是本发明一部分实施例，而不是全部的实施例。通常在此处附图中描述和示出的本发明实施例的组件可以以各种不同的配置来布置和设计。
本发明使用的实验装置为商用的离子迁移谱-质谱联用仪器，由Bruke公司生产的TIMS-TOFMS仪器分析了布洛芬分子的手性结构，其实验结果如图3所示。从实验结果可以很清楚地看到，具有不同手性结构的布洛芬分子可以被很容易地区分开。
本发明中，所用的含钙离子的化合物可以是含钙离子的盐，如：CaCl 2，Ca(NO 3) 2,CaSO 4卤化钙(F除外)、硝酸钙、氯酸钙、高氯酸钙、碳酸氢钙、磷酸二氢钙，萄糖酸钙、磷酸氢钙、乳酸钙等，也可以是含钙离子的碱，如Ca(OH) 2,也可以是含离子的络合物等在含水溶液中可以给出Ca 2+的化合物。
所用的γ-环糊精是指分子式为：C 48H 80O 40，其分子量为1297.12，且具有图2所示的分子结构的常用化学试剂。
实施例1
首先，分别称取适量的氯化钙(CaCl 2)，γ-环糊精(γCD)和布洛芬分子分子(C 13H 18O 2)样品，利用甲醇：水混合溶液(CH 3OH:H 2O＝1:1)溶液分别配制成浓度为1毫摩尔/每升(1mmol/L)的氯化钙(CaCl 2)，β-环糊精的母液，利用甲醇：乙腈混合溶液(CH 3OH:CH 3CN＝1:1)溶液配制成浓度为1毫摩尔/每升(1mmol/L)的C 8H 17NO 2的母液，然后各取氯化钙(CaCl 2)，γ-环糊精和C 13H 18O 2的母液100μm溶液到样品管中，最后，加入甲醇：水(1：1)溶液并稀释到10 -4mol/L。然后利用Bruke生产的TIMS-TOFMS仪器分别进行测试C 8H 17NO 2的手性结构，其具体实验过程为，利用TIMS-TOFMS仪器的电喷雾电离(ESI)离子源产生样品离子，并质谱分析ESI所产生的各种 离子产物(图3为一次实验中所获得的质谱结果示意图)。然后进一步利用此仪器分析(C 13H 18O 2-Ca 2+-γCD-H +) +离子(m/e＝1541.5th)的离子迁移谱，由于(R-C 13H 18O 2-Ca 2+-γCD-H +) +和(S-C 13H 18O 2-Ca 2+-γCD-H +) +离子具有不同的碰撞截面，因此具有不同的离子迁移率，通过对比分析，我们获得被分析3-氨甲基-5-甲基己酸分子的手性结构，即它是R-型还是S-型。同时由于所获得的质谱信号强度和离子迁移谱信号强度都与溶液中样品的浓度有关，因此，根据对应于某种手性3-氨甲基-5-甲基己酸分子的离子迁移谱强度，即可推算出溶液中所含此种手性布洛芬分子的含量，即实现定量分析。
在实验过程中，可以根据需要配制适合浓度的溶液，即溶液中氯化钙(CaCl 2)，γ-环糊精(γCD)和布洛芬分子的浓度可以根据实验需要而决定。此外，每种化合物在混合溶液中的浓度可以相同，也可以不同。
在实验过程中，可以根据需要配制溶液所用的溶剂种类和相对含量，即可以是乙腈和甲醇的混合，也可以是水与乙腈，甲醇三种试剂的混合，也可以是水，甲醇，乙醇，乙腈，丙腈，甲酸，丙酮等常用试剂中任何二种或多种试剂的混合，且各种试剂在混合溶液中的比例不受限制，根据实验需要决定。
以上所述的具体实施例，对本发明的目的、技术方案和有益效果进行了进一步详细说明，所应理解的是，以上所述仅为本发明的具体实施例而已，并不用于限制本发明，凡在本发明的精神和原则之内，所做的任何修改、等同替换、改进等，均应包含在本发明的保护范围之内。

Claims (10)

  1. 一种用于药物布洛芬分子手性结构分析的试剂，其特征在于：所述试剂包括混合有溶剂的布洛芬分子、伽马环糊精和含有二价钙离子的化合物。
  2. 根据权利要求1所述的一种用于药物布洛芬分子手性结构分析的试剂，其特征在于：所述布洛芬分子的浓度为10 -12～1摩尔/升，所述伽马环糊精的浓度为10 -12～1摩尔/升，所述含有二价钙离子的化合物的浓度为10 -12～1摩尔/升，所述布洛芬分子、所述伽马环糊精和含有二价钙离子的化合物之间的相对比例不受限制。
  3. 根据权利要求1所述的一种用于药物布洛芬分子手性结构分析的试剂，其特征在于：所述布洛芬分子具有左旋R和右旋S二种手性结构。
  4. 根据权利要求1所述的一种用于药物布洛芬分子手性结构分析的试剂，其特征在于：所述含有二价钙离子的化合物为含钙离子的盐、含钙离子的碱、含钙离子的络合物中的一种。
  5. 根据权利要求1所述的一种用于药物布洛芬分子手性结构分析的试剂，其特征在于：所述伽马环糊精还包括伽马环糊精的衍生物。
  6. 根据权利要求1所述的一种用于药物布洛芬分子手性结构分析的试剂，其特征在于：所述溶剂为水、甲醇、乙醇、***、乙腈、丙酮中的两种或多种。
  7. 一种用于药物布洛芬分子手性结构分析的方法，其特征在于，具有以下步骤：
    S1,将需要进行手性结构分析的布洛芬分子、伽马环糊精和含有二价钙离子化合物添加溶剂后配制成布洛芬-伽马环糊精-钙离子的混合物；
    S2,将布洛芬-伽马环糊精-钙离子的混合物使用离子源产生布洛芬-伽马环糊精-钙离子的一价正离子，即(C 13H 18O 2-γCD-Ca 2+-H +) +，质荷比为M/e＝1541.5th；
    S3,测量布洛芬-伽马环糊精-钙离子的一价正离子的离子碰撞截面， 或使用离子迁移谱的实验装置测量布洛芬-伽马环糊精-钙离子的一价正离子的离子迁移谱，即可获得布洛芬分子的手性结构信息。
  8. 根据权利要求7所述的一种用于药物布洛芬分子手性结构分析的方法，其特征在于：S1中，所述离子源为电喷雾电离离子源、激光辅助脱附电离离子源和解吸电喷雾电离离子源中的一种。
  9. 根据权利要求7所述的一种用于药物布洛芬分子手性结构分析的方法，其特征在于：S1中，所述布洛芬-伽马环糊精-钙离子的混合物为液态或为根据实验分析需要从液态制备的固态。
  10. 根据权利要求7所述的一种用于药物布洛芬分子手性结构分析的方法，其特征在于：所述实验装置为离子迁移谱、包含离子迁移谱的复合型实验装置中的一种。
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