CN102253112A - Method for identifying substance by ion mobility spectrum - Google Patents

Method for identifying substance by ion mobility spectrum Download PDF

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CN102253112A
CN102253112A CN 201110175660 CN201110175660A CN102253112A CN 102253112 A CN102253112 A CN 102253112A CN 201110175660 CN201110175660 CN 201110175660 CN 201110175660 A CN201110175660 A CN 201110175660A CN 102253112 A CN102253112 A CN 102253112A
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ion mobility
ion
relative
mobility
known substance
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CN102253112B (en
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马军
张伟
颜毅坚
徐翔
刘立秋
张亦扬
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Shenzhen Securities Spectrum Intelligent Technology Co ltd
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Wuhan Xigan Sci & Tech Co Ltd
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Abstract

The invention provides a method for identifying substances by an ion mobility spectrum, which comprises the following steps: heating a substance to be detected, introducing sample molecules and a known substance A by a carrier gas into a migration tube to generate product ions, allowing the product ions to arrive a Faraday detector, allowing an electric signal to arrive a data processing unit through an amplifier and an A/D sampler orderly, calculating the ion mobility of the sample molecules and the known substance A to obtain the relative ion mobility of the sample molecules; comparing and differentiating the relative ion mobility of the sample molecules with data stored in a database, and displaying the identified results. The method of the invention allows the ion mobility to become a relative value relative to the ion mobility of the known substance A by obtaining the relative ion mobility and establishing a mobility spectrum database of the relative ion mobility, and the relative value is no longer restricted by detection and equipment; technical defects described in background technology are overcome, and the ion mobility spectrum database is provided with generality.

Description

Utilize the method for ion mobility spectrometry recognition material
Technical field
The present invention relates to the ion mobility spectrometry technical field, relate in particular to a kind of method of utilizing the ion mobility spectrometry recognition material.
Background technology
Each molecule, especially organic molecule all have its unique size, planform and mass-charge ratio.Therefore, molecule after the ionization is accelerated in electric field or electro-magnetic field, because of being subjected to backward transfer gas (buffer gas) collision, molecule after the ionization can be with a certain special speed at the uniform velocity straight line or circular motion, this speed can be measured, calculate corresponding mobility according to this measurable ratemeter, can determine the kind of this molecule according to this mobility.
A kind of principle of utilizing the ion migration to have the specific transfer rate that comes to this ion migration ratio spectrometer (IMS, Ion Mobility Spectrometer) detects the instrument of given sample molecule.In recent years, along with the increasing of food safety detection, anti-terrorism explosive substance detection demand, ion migration ratio spectrometer has obtained widespread use.
As shown in Figure 1, existing ion migration ratio spectrometer comprises: migration tube 11, amplifier 12, A/D sampling thief 13, data processing unit 14, display unit 15 and database 16.
Wherein, migration tube 11 is divided into ionization district 112 and migration area 114 two parts by ion gate 113, and ionization district 112 is also referred to as reaction chamber.Be provided with ion gun (not indicating among the figure), migration gas vent 116 and detected material sample molecule inlet 120 in the ionization district 112, be provided with migration gas access 118 and Faraday detector 115 in the migration area 114.
Detected material is heated, sample molecule after its gasification is brought into the ionization district 112 of migration tube 11 by carrier gas, under the ion gun effect a series of chemi-ionization reactions take place after, generate product ion, and the ion gate of opening through periodicity enters migration area 114, be provided with uniform electric field in the migration area 114, product ion obtains energy on the one hand and makes directional drift from electric field, neutrality migration gas molecule with reverse flow constantly collides and off-energy on the other hand, so formed the migration velocity along direction of an electric field on the macroscopic view.Because different product ion, its quality, electrically charged, the collision cross-section of institute and spatial configuration of molecules have nothing in common with each other, therefore, its migration velocities of product ion different in electric field is all different, its time that arrives on the Faraday detector 115 is also different, so we just can discern different materials by calculating the mobility of ion.
After Faraday detector 115 detects gas current, amplifier 12 through being connected with Faraday detector 115 is with small current signal (pA ~ nA) amplify, and export to A/D sampling thief 13, A/D sampling thief 13 is that digital signal is exported to data processing unit 14 again with analog signal conversion, data processing unit 14 calculates the ion mobility of sample molecule, and the ion mobility spectrometry of formation sample molecule, afterwards, compare with the known substance ion mobility spectrometry of preserving in the database 16, if consistent ion mobility spectrometry is arranged, then report to the police,, also inform by display unit 15 if there is not consistent ion mobility spectrometry by display unit 15.
The computing formula of described ion mobility K is (Anal. Chem. 2009,81 (14) for Valentine S.J., Clemmer D.J., 5876 ~ 5880):
K=
Wherein, Ω is the ion collision cross section, and z is the entrained charge number of ion, and k is the Boltzmann constant, T EffBe ion temperature, P is the migration gas atmosphere, and T is the migration gas temperature, and N is the total molecular number of migration gas,
Figure 883323DEST_PATH_IMAGE002
,
Figure 194219DEST_PATH_IMAGE003
Be respectively mass of ion and migration gas molecule reduced mass, e is an electron charge.
As seen, each parameter of migration gas is for example moved gas atmosphere P, migration gas temperature T, ion collision cross section Ω and humidity and all ion mobility is exerted an influence.Here, described humidity is by influence migration gas molecule reduced mass
Figure 589428DEST_PATH_IMAGE003
, ion collision cross section Ω and ion temperature T EffAnd influence ion mobility K.
In actual measurement, general by measuring ion mobility spectrometry line time location T iCalculate the mobility of i kind ion: , wherein,
Figure 267675DEST_PATH_IMAGE005
Be the mobility of i kind ion,
Figure 65867DEST_PATH_IMAGE006
Be the speed of i kind ion, E is an electric field intensity, and L is a migration tube length.
At present, because the restriction of processing technology level, even if the migration tube of same manufacturer production, its structure also is difficult to reach in full accord, this makes the homogeneity of field uniformity and migration gas flowfield all can be affected, not only cause the loss of product ion, and make on same equipment, changing all can appear in the ion mobility that different time records same substance.
Therefore, though can carry out the identification of material by ion mobility spectrometry, but ion mobility and migration gas temperature, the migration gas humidity, migration gas flowfield homogeneity is closely related with field uniformity, can be subjected to the restriction of testing environment and equipment by the ion mobility spectrometry storehouse of ion mobility foundation, cause under varying environment and equipment, for same detected material, can draw different recognition results, therefore, there is certain technological deficiency in the method for utilizing ion mobility spectrometry to carry out material identification in the prior art, the ion mobility spectrometry database that uses this method to set up does not have versatility, can not discern material as sole criterion and demarcate.
Summary of the invention
For this reason, technical matters to be solved by this invention is: a kind of method of utilizing the ion mobility spectrometry recognition material is provided, makes the restriction of no longer examined environment of ion mobility spectrometry and equipment, the ion mobility spectrometry storehouse of using this method to set up has versatility.
So, the invention provides a kind of method of utilizing the ion mobility spectrometry recognition material, this method comprises:
The heating detected material, the sample molecule and the known substance A that contain in its gasification back detected material bring migration tube into by carrier gas in the lump, and generate product ion in migration tube;
The Faraday detector detects gas current and amplifies through amplifier, and via after the conversion of A/D sampling thief digital-to-analogue, exports to data processing unit;
Data processing unit calculates the ion mobility of described sample molecule and the ion mobility of known substance A, and obtains the relative ion mobility of sample molecule according to described two ion mobilities;
The ion relative mobility of the known substance preserved in the ion relative mobility of described sample molecule and the database is compared differentiation, and the demonstration recognition result, the ion relative mobility of the known substance of preserving in the described database is the relative ion mobility database by the relative ion mobility formation of the ion mobility acquisition of the ion mobility of known substance and known substance A.
The relative ion mobility that transport factor obtains, comprising: said method also comprises: after the relative ion mobility of described acquisition sample molecule, formed the ion relative mobility spectrum of described sample molecule by this relative ion mobility;
The ion relative mobility spectrum of the known substance preserved in the ion relative mobility of described sample molecule spectrum and the database is compared differentiation, and the demonstration recognition result, the ion relative mobility spectrum of the known substance of preserving in the described database is the relative ion mobility spectrometry database by the relative ion mobility formation of the ion mobility acquisition of the ion mobility of known substance and known substance A.
Wherein, described according to described sample molecule ion mobility and known substance A from
According to
Figure 795926DEST_PATH_IMAGE007
Perhaps
Figure 464804DEST_PATH_IMAGE008
Obtain relative ion mobility, wherein,
Figure 989327DEST_PATH_IMAGE009
Be relative ion mobility,
Figure 743656DEST_PATH_IMAGE010
Be the ion mobility of the sample molecule that contains in the detected material,
Figure 11826DEST_PATH_IMAGE011
Ion mobility for known substance A.
Wherein, described known substance A can be water vapour or oxygen.
Wherein, described demonstration recognition result comprises:
If consistent ion mobility spectrometry is arranged, then show this material title, if there is not consistent ion mobility spectrometry, also shows and do not contain any known substance.
The method of utilizing the ion mobility spectrometry recognition material of the present invention, by obtaining relative ion mobility and setting up relative ion mobility spectrometry database, make ion mobility become a relative value with respect to the ion mobility of known substance A, the restriction of no longer examined environment of this relative value and equipment, overcome the technological deficiency described in the background technology effectively, made the ion mobility spectrometry database have versatility.
Description of drawings
Fig. 1 is a prior art intermediate ion mobility spectrometer structural representation;
Fig. 2 is the process flow diagram that utilizes ion mobility spectrometry recognition material method of the present invention.
Embodiment
Below, describe the present invention in conjunction with the accompanying drawings.
As shown in Figure 2, present embodiment provides a kind of method of utilizing the ion mobility spectrometry recognition material, and this method comprises:
Step 21, the heating detected material;
Step 22, the sample molecule and the known substance A that contain after the detected material gasification bring migration tube into by carrier gas in the lump, and generate product ion in migration tube;
Step 23, under effect of electric field, product ion arrives the Faraday detector of migration tube, after the gas current that the amplifier that links to each other with the Faraday detector detects the Faraday detector amplifies, export to the A/D sampling thief, the A/D sampling thief is to export to data processing unit again after the digital signal with analog signal conversion;
Step 24, data processing unit are calculated the ion mobility of described sample molecule and the ion mobility of known substance A, and obtain relative ion mobility according to described two ion mobilities;
Step 25 compares differentiation with the ion mobility of the known substance preserved in the ion mobility of described sample molecule and the database, and shows recognition result.Wherein, the ion mobility of the known substance of preserving in the described database is the ion mobility database that relative ion mobility that the ion mobility of ion mobility by known substance and known substance A obtains forms.
For showing ion mobility more intuitively, we can show the form that described relative ion mobility is made spectral line, for this reason,
Step 24 can further include: data processing unit calculates the ion mobility of described sample molecule and the ion mobility of known substance A, and, form the ion mobility spectrometry of described sample molecule again by this relative ion mobility according to after the relative ion mobility of described two ion mobilities acquisition;
Step 25 further comprises:
The ion mobility spectrometry of the known substance preserved in the ion mobility spectrometry of described sample molecule and the database is compared differentiation, and show recognition result.Wherein, the ion mobility spectrometry of the known substance of preserving in the described database is the ion mobility spectrometry database that relative ion mobility that the ion mobility of ion mobility by known substance and known substance A obtains forms.
In step 24, ion mobility and the relative ion mobility that the ion mobility of known substance A obtains according to described sample molecule comprise:
According to
Figure 66370DEST_PATH_IMAGE007
Perhaps
Figure 496214DEST_PATH_IMAGE012
Obtain relative ion mobility, wherein,
Figure 268998DEST_PATH_IMAGE009
Be relative ion mobility,
Figure 544122DEST_PATH_IMAGE013
Be the ion mobility of the sample molecule that contains in the detected material,
Figure 718751DEST_PATH_IMAGE011
Ion mobility for known substance A.
As seen, relative ion mobility
Figure 53918DEST_PATH_IMAGE009
, with migration tube temperature, migration gas humidity, air-flow magnetic field homogeneity and no longer relevant, the promptly relative ion mobility of field uniformity
Figure 815462DEST_PATH_IMAGE009
No longer be subjected to having overcome the technological deficiency that exists in the prior art described in the background technology by migration gas temperature, migration gas humidity, migration gas flowfield homogeneity and the testing environment of these parameter controls of field uniformity and the restriction of migration tube device manufacturing process.Make the ion mobility spectrometry database that uses relative ion mobility to set up also have versatility.
Above-mentioned known substance A is can be water vapour, oxygen or other any known substance.
In step 25, described demonstration recognition result comprises:
If consistent ion mobility spectrometry is arranged, then show this material title, if there is not consistent ion mobility spectrometry, also shows and do not contain any known substance.
Like this, utilize the described method of utilizing the ion mobility spectrometry recognition material of present embodiment, at first set up the ion mobility spectrometry database of a multiple material, the ion mobility spectrometry of preserving in this database also is to be formed by relative ion mobility, promptly obtain relative ion mobility, form the ion mobility spectrometry database by relative ion mobility by the ion mobility of each material and the ion mobility of known substance A.
Afterwards, when carrying out material identification, obtain relative sample molecule ion mobility by the sample molecule ion mobility with known substance A ion mobility, the ion mobility spectrometry of preserving in ion mobility spectrometry that the sample molecule mobility that this is relative forms and the above-mentioned ion mobility spectrometry database compares, and draws recognition result.
In sum, the described method of utilizing the ion mobility spectrometry recognition material of present embodiment, by obtaining sample molecule ion mobility and known substance A ion mobility, and draw the mode of relative ion mobility according to described two ion mobilities, form the relative ion mobility spectrometry of sample molecule that contains in the checked property, the ion mobility spectrometry database also is a relative ion mobility spectrometry database with respect to known substance A ion mobility, and then the method for the material that carries out again containing in checked property identification, make ion mobility spectrometry become a relative value with respect to known substance A ion mobility, the restriction of no longer examined environment of this relative value and equipment, effectively overcome the defective described in the background technology, made the ion mobility spectrometry storehouse have versatility.
The above only is preferred embodiment of the present invention, and is in order to restriction the present invention, within the spirit and principles in the present invention not all, any modification of being done, is equal to replacement, improvement etc., all should be included within protection scope of the present invention.

Claims (5)

1. a method of utilizing the ion mobility spectrometry recognition material is characterized in that, comprising:
The heating detected material, the sample molecule and the known substance A that contain in its gasification back detected material bring migration tube into by carrier gas in the lump, and generate product ion in migration tube;
The Faraday detector detects gas current and amplifies through amplifier, and via after the conversion of A/D sampling thief digital-to-analogue, exports to data processing unit;
Data processing unit calculates the ion mobility of described sample molecule and the ion mobility of known substance A, and obtains the relative ion mobility of sample molecule according to described two ion mobilities;
The ion relative mobility of the known substance preserved in the ion relative mobility of described sample molecule and the database is compared differentiation, and the demonstration recognition result, the ion relative mobility of the known substance of preserving in the described database is the relative ion mobility database by the relative ion mobility formation of the ion mobility acquisition of the ion mobility of known substance and known substance A.
2. method according to claim 1 is characterized in that, also comprises: after the relative ion mobility of described acquisition sample molecule, formed the ion relative mobility spectrum of described sample molecule by this relative ion mobility;
The ion relative mobility spectrum of the known substance preserved in the ion relative mobility of described sample molecule spectrum and the database is compared differentiation, and the demonstration recognition result, the ion relative mobility spectrum of the known substance of preserving in the described database is the relative ion mobility spectrometry database by the relative ion mobility formation of the ion mobility acquisition of the ion mobility of known substance and known substance A.
3. according to claim 1 or 2 described methods, it is characterized in that described ion mobility and the relative ion mobility that the ion mobility of known substance A obtains according to described sample molecule comprise:
According to
Figure 201110175660X100001DEST_PATH_IMAGE001
Perhaps
Figure 521573DEST_PATH_IMAGE002
Obtain relative ion mobility, wherein,
Figure 201110175660X100001DEST_PATH_IMAGE003
Be relative ion mobility, Be the ion mobility of the sample molecule that contains in the detected material,
Figure 201110175660X100001DEST_PATH_IMAGE005
Ion mobility for known substance A.
4. according to claim 1 or 2 described methods, it is characterized in that described known substance A is water vapour or oxygen.
5. method according to claim 1 is characterized in that, described demonstration recognition result comprises:
If consistent ion mobility spectrometry is arranged, then show this material title, if there is not consistent ion mobility spectrometry, also shows and do not contain any known substance.
CN 201110175660 2011-06-27 2011-06-27 Method for identifying substance by relative ion mobility spectrum Expired - Fee Related CN102253112B (en)

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Cited By (6)

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Publication number Priority date Publication date Assignee Title
CN102313776A (en) * 2011-07-27 2012-01-11 武汉矽感科技有限公司 Ion mobility spectrometry
CN103091390A (en) * 2013-01-05 2013-05-08 武汉矽感科技有限公司 Method for rapidly detecting clenbuterol hydrochloride inside animal body
CN103149270A (en) * 2013-02-27 2013-06-12 武汉矽感科技有限公司 Method for detecting grease by utilizing ion mobility spectrometer
CN103868981A (en) * 2012-12-12 2014-06-18 中国科学院大连化学物理研究所 Method for qualitative identification of one or more than two specific substances in sample
CN103884767A (en) * 2012-12-21 2014-06-25 中国科学院大连化学物理研究所 Method for improvement of ion mobility spectrometer identification detection performance
CN104007164A (en) * 2014-05-29 2014-08-27 武汉矽感科技有限公司 Use of ion mobility spectrometer for detecting gibberellins residues in crops and method for detecting gibberellins residues in crops

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CN1759312A (en) * 2003-03-07 2006-04-12 气体感觉分析有限责任公司 Method and test system for detecting harmful substances

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Cited By (9)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN102313776A (en) * 2011-07-27 2012-01-11 武汉矽感科技有限公司 Ion mobility spectrometry
CN102313776B (en) * 2011-07-27 2013-07-17 武汉矽感科技有限公司 Ion mobility spectrometry
CN103868981A (en) * 2012-12-12 2014-06-18 中国科学院大连化学物理研究所 Method for qualitative identification of one or more than two specific substances in sample
CN103884767A (en) * 2012-12-21 2014-06-25 中国科学院大连化学物理研究所 Method for improvement of ion mobility spectrometer identification detection performance
CN103884767B (en) * 2012-12-21 2016-05-18 中国科学院大连化学物理研究所 A kind of method that improves ionic migration spectrometer recognition detection performance
CN103091390A (en) * 2013-01-05 2013-05-08 武汉矽感科技有限公司 Method for rapidly detecting clenbuterol hydrochloride inside animal body
CN103149270A (en) * 2013-02-27 2013-06-12 武汉矽感科技有限公司 Method for detecting grease by utilizing ion mobility spectrometer
CN103149270B (en) * 2013-02-27 2015-07-22 上海矽感信息科技(集团)有限公司 Method for detecting grease by utilizing ion mobility spectrometer
CN104007164A (en) * 2014-05-29 2014-08-27 武汉矽感科技有限公司 Use of ion mobility spectrometer for detecting gibberellins residues in crops and method for detecting gibberellins residues in crops

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