CN1016737B - Multi-channel test data processing apparatus for liquid colour spectrum - Google Patents
Multi-channel test data processing apparatus for liquid colour spectrumInfo
- Publication number
- CN1016737B CN1016737B CN 85101205 CN85101205A CN1016737B CN 1016737 B CN1016737 B CN 1016737B CN 85101205 CN85101205 CN 85101205 CN 85101205 A CN85101205 A CN 85101205A CN 1016737 B CN1016737 B CN 1016737B
- Authority
- CN
- China
- Prior art keywords
- chromatogram
- peak
- acid
- signals
- sampling
- Prior art date
- Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
- Expired
Links
- 238000001228 spectrum Methods 0.000 title claims abstract description 12
- 239000007788 liquid Substances 0.000 title claims abstract description 9
- 238000005070 sampling Methods 0.000 claims abstract description 10
- 239000012530 fluid Substances 0.000 claims abstract description 3
- 230000005055 memory storage Effects 0.000 claims description 8
- 238000004811 liquid chromatography Methods 0.000 claims description 5
- 238000001514 detection method Methods 0.000 claims description 4
- 238000007689 inspection Methods 0.000 claims description 3
- 238000004458 analytical method Methods 0.000 abstract description 5
- 238000010998 test method Methods 0.000 abstract 1
- 239000000203 mixture Substances 0.000 description 27
- NRSCPTLHWVWLLH-UHFFFAOYSA-N p-methylhippuric acid Chemical compound CC1=CC=C(C(=O)NCC(O)=O)C=C1 NRSCPTLHWVWLLH-UHFFFAOYSA-N 0.000 description 25
- YKAKNMHEIJUKEX-UHFFFAOYSA-N m-methylhippuric acid Chemical compound CC1=CC=CC(C(=O)NCC(O)=O)=C1 YKAKNMHEIJUKEX-UHFFFAOYSA-N 0.000 description 24
- 238000002835 absorbance Methods 0.000 description 20
- QIAFMBKCNZACKA-UHFFFAOYSA-N N-benzoylglycine Chemical compound OC(=O)CNC(=O)C1=CC=CC=C1 QIAFMBKCNZACKA-UHFFFAOYSA-N 0.000 description 12
- 238000000862 absorption spectrum Methods 0.000 description 12
- YOEBAVRJHRCKRE-UHFFFAOYSA-N o-methylhippuric acid Chemical compound CC1=CC=CC=C1C(=O)NCC(O)=O YOEBAVRJHRCKRE-UHFFFAOYSA-N 0.000 description 5
- 239000002253 acid Substances 0.000 description 3
- 238000000926 separation method Methods 0.000 description 2
- 238000010521 absorption reaction Methods 0.000 description 1
- 230000006399 behavior Effects 0.000 description 1
- 230000015572 biosynthetic process Effects 0.000 description 1
- 238000013500 data storage Methods 0.000 description 1
- 238000004090 dissolution Methods 0.000 description 1
- 238000012538 light obscuration Methods 0.000 description 1
- 239000000463 material Substances 0.000 description 1
- 238000005259 measurement Methods 0.000 description 1
Images
Abstract
The present invention relates to a multiple channel detecting data processing device for liquid chromatograms, which can quantitate the components of unseparated peaks without the change of analysis conditions. The present invention comprises a sampling detecting device, a storage device, a chromatogram input device, an arithmetic device and a representing device, wherein the sampling detecting device is used for obtaining a plurality of detecting output signals from effluent fluids of pole pipes of liquid chromatograms by various test methods and sampling the detecting output signals; the storage device is used for storing sampled signals; the chromatogram input device outputs the sampled signals from the storage device as chromatograms; the arithmetic device is used for carrying out operation by taking the difference of two different sampled signals as chromatograms and calculating the peak area of the chromatograms; the representing device is used for representing and outputting a plurality of sampled signals as a frequency spectrum.
Description
The invention relates to multi-channel test data processing apparatus.This device is measured the absorbance of liquid chromatography a plurality of wavelength in ultraviolet light, visible light extinction photometer detecting device simultaneously, and, can export the result of analyzing behind the absorbance.
In liquid chromatography, be to be purpose originally with the various compositions in the sample separation, still, under same analysis condition, may not necessarily all separate contained composition.Composition per sample exists owing to its solubility behavior is similar and makes that some component separating is insufficient, does not perhaps separate fully and the situation of dissolving.
Past, whether under the situation of using the single wavelength detecting device, not only usually can not judge detached peaks, and will to these not the composition of detached peaks quantitatively be very difficult.When such problem takes place when, just must change the analysis condition of column jecket and mobile phase and so on, such as checking these not separation conditions of detached peaks, perhaps sample itself is carried out the necessary processing of giving.But, the condition of researching and analysing will be spent a lot of time, and is difficult to obtain optimal condition toward contact.In addition, give not only making operation become complicated when handling, and these usually become the reasons of error that increases quantitative values.
In view of the foregoing, the invention provides need not change analysis condition just can be quantitatively the multi-channel test data processing apparatus for liquid colour spectrum of the composition of detached peaks not.
Multi-channel test data processing apparatus for liquid colour spectrum of the present invention comprises:
Inspection by sampling device: be used for column jecket effluent fluid, obtain a plurality of detection output signals, such signal is taken a sample with arbitrary time span with multiple detection means to liquid chromatography;
Memory storage: be used to store the sampled signal that obtains by sampler;
Chromatogram output unit: be used for exporting as chromatogram from any sampled signal of memory storage;
Arithmetic unit: be used for the difference of two different sampled signals is carried out computing as chromatogram, and, calculate the peak area of this chromatogram;
Indication device: be used for exporting as frequency spectrum designation with a plurality of sample signals of random time.
Describe embodiment of the present invention in detail below in conjunction with accompanying drawing, still, the present invention is not subjected to the restriction of following embodiment.
In the 1st figure, the formation of embodiment of the present invention is explained.
(1) is sampler, is used for a plurality of detection output signals that a plurality of pick-up units by liquid chromatography 2 are obtained with time sampling arbitrarily; Pick-up unit 2 is to use for example device (individual channel of pick-up unit 2 is equivalent to each element of photodiode) of photodiode display and so on, the absorption spectra that with wavelength is 200～699nm is done frequent mensuration every 1nm, and detects output signal to 1 output of inspection by sampling device.
The 3rd, memory storage is used for storing the sampled signal that is obtained by sampling detecting device 1 sampling, and the signal of the needs that output therefrom obtains sends chromatogram output unit 4 to.The 5th, arithmetic unit, it carries out computing to the difference of two different sampled signals exporting from memory storage 3 as chromatogram, goes back the peak area of the chromatogram of computing acquisition simultaneously.
With 2-the 3rd figure the work of embodiment of the present invention is explained below.
Shown in the 2nd figure, this is certain peak on the chromatogram, and this peak is not isolated composition A and composition B and be overlapping, judge dissolved matter, and will find out composition A, the B difference aspect the absorption spectra characteristic respectively.At this moment the dissolution time separately of composition A, B often has some difference.(in the 2nd figure, dotted line is represented the dissolving peak of composition A, and dot-and-dash line is represented the dissolving peak of composition B, and solid line is represented composition A, the peak when B is overlapping).Composition A, B absorption spectra separately is shown in the 3rd figure.In the 3rd figure, known in wavelength X
1, λ
2The absorbance of the composition A of place is equal, and in wavelength X
3, λ
4The absorbance of the composition B of place equates.Now, if use A λ
1(t) the expression wavelength X is asked wavelength X in the absorbance of moment t
2Absorbance A λ
2(t) and wavelength X
1Absorbance A λ
1(t) poor then has
A
1（t）＝Aλ
2（t）-Aλ
1（t）（1-1）
In this chromatogram,, should have to the peak of composition B owing to remove composition A.In like manner, can try to achieve wavelength X
3Absorbance A λ
3(t) and wavelength X
4Absorbance A λ
4(t) poor.Then become:
A
2（t）＝Aλ
3（t）-Aλ
4（t）（1-2）
In this chromatogram,, have to the peak of composition A owing to remove composition B.And represent the chromatogram A of composition A with (1-2) formula
2(t), same, (1-1) formula of using is represented the chromatogram A of composition B
1(t), just might by calculate separately peak area and quantitatively.
Below, the liquid that mixes with the ratio of 1mg/ml respectively with regard to hippuric acid, 0-toluric acid, m-toluric acid, P-toluric acid and separately with the m-toluric acid and the practice when using as sample respectively with the P-toluric acid separately intert explanation with 4-11 figure.
At first, only inject the m-toluric acid, inject data storage that the P-toluric acid obtained after five minutes again to memory storage 3.From stored data, export the frequency spectrum of m-toluric acid and P-toluric acid then.The frequency spectrum designation of output is in the 4th figure, and solid line is the m-toluric acid, and dotted line is the P-toluric acid.Among the 4th figure, because at λ
1And λ
2The absorbance of the m-of place toluric acid equates, at λ
3And λ
4The absorbance of the P-of place toluric acid is equal, therefore, if with λ
1And λ
2The difference of absorbance export as chromatogram, then the peak of m-toluric acid is just by cancellation; If with λ
3And λ
4The difference of absorbance export as chromatogram, then the peak of P-toluric acid is by cancellation.The 5th figure, A, B represent the chromatogram exported.In the 5th figure A, dotted line is represented λ
4Chromatogram, dashed line is represented λ
3Chromatogram, solid line is illustrated in synchronization with at λ
3Absorbance deduct at λ
4The difference of absorbance as the output of chromatogram, the peak of P-toluric acid is by cancellation.(the m-toluric acid is represented at the peak after 11.1 minutes, and the P-toluric acid is represented at the peak after 16.2 minutes.) in like manner, in the 5th figure, dotted line is at λ
1Chromatogram, dashed line is at λ
2Chromatogram, solid line is with at λ at synchronization
2Absorbance deduct at λ
1The difference of absorbance as the output of chromatogram, the peak of m-toluric acid is by cancellation.In other words, for the P-toluric acid being carried out quantitatively can utilize (1-2) formula, following formula is done chromatogram and is used,
AP（t）＝Aλ
2（t）-Aλ
1（t）……（1-3）
For the m-toluric acid being carried out quantitatively then can utilize (1-1) formula:
Am（t）＝Aλ
3（t）-Aλ
4（t）……（1-4）
This shows, if use above-mentioned chromatogram, even two metamers keep unseparated original state dissolving also can carry out quantitatively them individually respectively.
Following handle is measured as sample with the mixed liquor that the 1mg/ml ratio mixes respectively by hippuric acid, O-toluric acid, m-toluric acid, P-toluric acid.
The resulting colour scale of this measurement result is shown among the 6th figure, and the wavelength of record is λ with above-mentioned identical
1-λ
4From this chromatogram, can see, hippuric acid (being designated as HA among the figure) separates well with O-toluric acid (being designated as O-MHA among the figure), but m-toluric acid (being designated as m-MHA among the figure) does not separate and overlapping dissolving with P-toluric acid (being designated as P-MHA among the figure).Because in wavelength X
3Chromatographic peak and in wavelength X
1The peak on time on summit difference is arranged separately, include the multiple composition that does not separate fully so know this peak.Thus, can these compositions that do not separate fully of prediction be m-toluric acid and P-toluric acid.The 7th figure is with to measure the resulting data of above-mentioned mixed liquor relevant, and it is to be the figure that the three-dimensional chromatogram of three axles is exported with stipulated time-absorbance-wavelength.The 8th figure represents absorbance 0.12Abs at interval, high line by identical data.In the 8th figure, the stripping peak that can see C seems that some tilts, and is because wavelength took place to depart from the moment of peak maximum as can be known, and this is detached peaks not for a prediction.
Below, from measuring that above-mentioned mixed liquor obtains and the stored identical data, by (1-3) formula and (1-4) formula calculate two chromatograms and with they output.Its result is shown in the 9th figure.In the 9th figure A, dotted line is at λ
3Chromatogram, dashed line is at λ
4Chromatogram, solid line is Am(t) chromatogram.In the 9th figure B, dotted line is at λ
2Chromatogram, dashed line is at λ
1Chromatogram, solid line is AP(t) chromatogram.Calculate the area at peak separately thus, the result is at chromatogram Am(t) in, (a) of the 9th figure A is the peak of hippuric acid, (b) is the peak of O-toluric acid, (c) is the peak of m-toluric acid.Equally, to chromatogram AP(t), the area at calculating peak, the result, (d) of the 9th figure B is the peak of P-toluric acid.
Below, the peak that is conceived to the quantitative values of trying to achieve must confirm it be the not detached peaks of only forming by m-toluric acid and P-toluric acid and do not contain the 3rd, the 4th kind of composition.
At first, according to begin most to carry out to inject at interval the data that m-toluric acid and P-toluric acid are obtained in five minutes, calculate
Am（t）＝Aλ
3（t）-Aλ
4（t）……（1-5）
The chromatogram that forms is obtained the peak height Hm at peak of m-toluric acid and the time tm of peak maximum.Absorption spectra (absorption spectra of m-toluric acid) at time tm is represented with Sm, and is calculated
AP（t）＝Aλ
2（t）-Aλ
1（t）……（1-6）
The chromatogram that forms is obtained the peak height Hp at peak of P-toluric acid and the time tp of peak maximum.Absorption spectra (absorption spectra of P-toluric acid) at time tp is represented with Sp.
Then, the data of the recombined sample of forming according to hippuric acid, O-toluric acid, m-toluric acid, P-toluric acid are asked the two a certain moment t in dissolving of m-toluric acid and P-toluric acid
OHm and hp
hm＝Aλ
3（t
O）-Aλ
4（t
O）……（1-7）
hp＝Aλ
2（t
O）-Aλ
1（t
O）……（1-8）
At this t constantly
oThe absorption stave be St
O
If detached peaks does not contain m-toluric acid and P-toluric acid material in addition, so, absorption spectra St
OJust should be consistent with the absorption spectra Sx that represents with following formula
Sx＝Sm× (hm)/(Hm) +SP× (hp)/(Hp) ……（1-9）
The 10th figure should be two spectrum overlapping outputs obtaining like this.Solid line is the absorption spectra of Sx, and dotted line is St
OAbsorption spectra.As seen, this not detached peaks do not contain composition beyond m-toluric acid and the P-toluric acid.
The present invention-multi-channel test data processing apparatus for liquid colour spectrum owing to can measure the absorbance of a plurality of wavelength at synchronization, therefore, can not change analysis condition and the quantitative not composition of detached peaks.Because be to detect simultaneously with a plurality of wavelength, so only basis is once analyzed the data that obtain and just may be made the not fractional dose of detached peaks, disposal route is rapid and easy again.
The 1st figure is embodiment of the present invention calcspars; The 2nd figure is the chromatogram of detached peaks not; The 3rd figure is not the composition A of detached peaks, the spectrogram of B among the 2nd figure; The 4th figure is the spectrogram of m-toluric acid and P-toluric acid; The 5th figure A, B are respectively the chromatograms of m-toluric acid and P-toluric acid; The 6th figure is hippuric acid, O-toluric acid, P-toluric acid, m-toluric acid, the chromatogram of the recombined sample of P-toluric acid; The 7th figure is the three-dimensional chromatogram of the 6th figure; The 8th figure is the data according to the 7th figure, with the contour map of making from representing level line between absorbance; The 9th figure A, B obtain the not chromatogram of detached peaks wavelength difference separately according to the data of the 6th figure respectively; The 10th figure is absorption spectra St
OSpectrogram with Sx.
Label wherein
1 expression sampler;
2 expression pick-up units;
3 expression memory storages;
4 expression chromatogram output units;
5 expression arithmetic units;
6 represent indication device;
Claims (1)
1, a kind of multi-channel test data processing apparatus for liquid colour spectrum is characterized in that comprising
Sampling detecting device: be used for column jecket effluent fluid, obtain a plurality of detection output signals, these signals are taken a sample with arbitrary time span with a plurality of detecting devices to liquid chromatography;
Memory storage: be used to store the sampled signal that partly obtains by inspection by sampling;
The chromatogram output unit; Be used for exporting as chromatogram from any sample thief signal of memory storage;
Arithmetic unit: be used for the difference of two different sampled signals is carried out computing as chromatogram, and, calculate the peak area of this chromatogram;
Indication device: be used for exporting as frequency spectrum designation through a plurality of sampled signals of random time;
With a plurality of detecting devices different-waveband is detected in real time, parse peak value according to the difference of each wave band absorptivity.
Priority Applications (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| CN 85101205 CN1016737B (en) | 1985-04-01 | 1985-04-01 | Multi-channel test data processing apparatus for liquid colour spectrum |
Applications Claiming Priority (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| CN 85101205 CN1016737B (en) | 1985-04-01 | 1985-04-01 | Multi-channel test data processing apparatus for liquid colour spectrum |
Publications (2)
| Publication Number | Publication Date |
|---|---|
| CN85101205A CN85101205A (en) | 1987-01-24 |
| CN1016737B true CN1016737B (en) | 1992-05-20 |
Family
ID=4791685
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| CN 85101205 Expired CN1016737B (en) | 1985-04-01 | 1985-04-01 | Multi-channel test data processing apparatus for liquid colour spectrum |
Country Status (1)
| Country | Link |
|---|---|
| CN (1) | CN1016737B (en) |
Families Citing this family (7)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN1081942C (en) * | 1998-11-30 | 2002-04-03 | 宝山钢铁股份有限公司 | Treatment method of headspace feeding sample for acid/neutral or alkaline/neutral substance |
| CN102445274A (en) * | 2010-10-13 | 2012-05-09 | 罗文宇 | Color analytical method and system for solution |
| JP6048373B2 (en) * | 2013-04-09 | 2016-12-21 | 株式会社島津製作所 | Chromatograph data processing apparatus and data processing method |
| JP5954497B2 (en) * | 2013-07-29 | 2016-07-20 | 株式会社島津製作所 | Chromatograph data processing apparatus and data processing method |
| US10151734B2 (en) * | 2013-09-02 | 2018-12-11 | Shimadzu Corporation | Data processing system and method for chromatograph |
| CN105518455B (en) * | 2013-09-09 | 2017-05-03 | 株式会社岛津制作所 | Peak detection method |
| CN106461624B (en) * | 2014-03-04 | 2019-01-11 | 托夫沃克股份公司 | Method and apparatus for determining chromatography map |
-
1985
- 1985-04-01 CN CN 85101205 patent/CN1016737B/en not_active Expired
Also Published As
| Publication number | Publication date |
|---|---|
| CN85101205A (en) | 1987-01-24 |
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