JPH0389441A - Mass spectrograph - Google Patents

Abstract

PURPOSE:To improve spectrometic efficiency by providing a memory means, an MS/MS spectrum peak data deleting means, a peak selecting means, the control means of a pre-mass spectrograph and a color code display means. CONSTITUTION:Sample molecules are ionized in an ionization chamber 1, parent ions (sample itself) and cleaved ions are mass-analyzed in a pre-mass spectrograph 2, and the primary spectrum is collected and selected by a CPU 5 and fed to a collision chamber 3 to accelerate cleavage. Outgoing ions are mass- analyzed by a post-mass spectrograph 4, the MS/MS spectrum of specified ions is collected, and the primary spectrum data are stored in a memory device 6. The peak at the position of the heaviest mass number is extracted, the device 2 is adjusted so that the ions are fed to the collision chamber 3, and the MS/MS spectrum data are stored in a memory device 6. The CPU 5 deletes matching peak data and judges the peak A1 displayed at the position of the heaviest mass number as the parent ion peak then displays A2 and A3 at the same position on a CRT 7 with the same color, then it is shown at a single glance that A1 is parent ions and A2 and A3 are cleaved ions, and the spectrometry efficiency is improved.

Description

[Detailed description of the invention] [Industrial application field]

The present invention relates to a mass spectrometer having mass spectrometry means arranged in series.

[Conventional technology]

A mass spectrometer that collects MS/MS spectra has a collision chamber that splits ions between two mass spectrometers, and ions that have been mass-selected by the previous mass spectrometer are split in the collision chamber. The ions are subjected to mass spectrometry using a subsequent mass spectrometer, and the M of a specific mass ion is determined.
This is a device for obtaining S/MS spectra. In a typical single-stage mass spectrometer, when a mixture sample is ionized using the EI method (ELECTRON IMPACT), the generated ions are further cleaved to generate various types of cleavage ions, making the mass spectrum complex and making it difficult to identify the sample. It can be difficult. The two-stage mass spectrometer described above is effective for identifying mixtures containing many substances because it can determine the cleavage ion for a specific ion, but the -order spectrum obtained by the first-stage mass spectrometer There are two types of peaks, one due to the parent ion before cleavage, and another due to the cleavage ion, which is the parent ion being cleaved.It is difficult to distinguish between the parent ion and the cleavage ion, so it is difficult to distinguish between the parent ion and the cleavage ion. There is a problem that the number of parent ions to be selected for the S spectrum increases, and the measurement time becomes long. Another problem is that because there are many peaks that appear in the -order spectral vector, it is difficult to distinguish between the parent ion and the resulting cleavage ion from the collected primary spectral vector at a glance, and it takes time to analyze the spectral data. was there.

[Problem to be solved by the invention]

An object of the present invention is to improve analysis efficiency by enabling a set of a parent ion peak and its cleavage ion peak to be identified at a glance from the -order vector.

[Means to solve the problem]

In a mass spectrometer consisting of two mass spectrometers arranged one behind the other on an ion trajectory, there is a means for storing spectral data obtained from the two mass spectrometers, and primary spectral data obtained from the preceding mass spectrometer. means for deleting MS/MS spectrum peak data obtained from a subsequent mass spectrometry means, and means for selecting a peak with the heaviest mass number from the primary spectrum data or the primary spectrum data from which the MS/MS spectrum peak data has been deleted. and a means for controlling the preceding mass spectrometry means to emit ions corresponding to the selected peak;
means for displaying the order vector peaks in different colors for each of the MS/MS spectrum peaks was provided.

[For use]

All of the parent ion peaks and cleavage ion peaks generated from the sample appear in the primary spectral vector. The MS/MS spectrum displays a specific parent ion peak and a cleavage ion peak from that parent ion. Since the cleavage ion peak is displayed at a mass number position lighter than the parent ion peak, for example, as shown in Figure 2, the peak A1 displayed at the heaviest mass number position in the -order vector is the parent ion peak. Therefore, the M37MS spectrum of the ion peak A1 is obtained, and the primary vector peaks Al, A2 . When A3 is displayed in the same color, the peak A1 displayed at the heaviest mass number position in the -order vector is the parent ion peak, and the other peaks A
2. You can tell at a glance that A3 is the cleavage ion peak.Among the uncolored peaks displayed in the 0-order and -order vectors, the peak displayed at the heaviest mass number position is the parent ion peak. Therefore, obtain the MS/MS spectrum of the ion that corresponds to the peak, and mark the peak of the primary vector that appears at the same position as the peak that appears in the spectrum in a different color from the one above. indicate. If you do the same thing below, you will be able to determine the parent ion peak from the primary vector at a glance, and you will be able to avoid unnecessary MS.
There is no need to measure /MS spectra. In addition, the parent ion peak and cleavage ion peak generated from a specific molecule can be distinguished at a glance from the primary svector, making it easier to identify sample molecules.

【Example】

FIG. 1 shows an embodiment of the present invention.
In step 2, the sample molecules are ionized in the ionization chamber, and in step 2, the ionized parent ions (the sample molecules themselves are ionized) and cleavage ions (the sample molecules are ionized by cleavage) are subjected to mass spectrometry in the first stage mass spectrometer. At the same time, the CPU 5 selects the extracted ions and makes them enter the collision chamber 3.In the collision chamber 3, the incident ions are collided with N2 gas, argon gas, etc. to promote ion fragmentation.Collision chamber The ions emitted from the CPU 5 are mass-analyzed by the post-stage mass spectrometer 4, and the MS/MS spectrum of the specified ions is collected.
controls the two mass spectrometers 2.4 mentioned above, and as shown in the flowchart in FIG. Memorize (A) Extract the peak at the heaviest mass number position from the memorized second-order spectrum data (B) Perform pre-stage mass spectrometry so that ions corresponding to the extracted peak enter the collision chamber 3 adjusting the device 2; collecting the MS/MS spectrum of ions corresponding to the extracted peaks with the post-stage mass spectrometer 4;
storing the spectrum data in the storage device 6 (1);
Peak data that matches the MS/MS spectrum peak is deleted from the primary spectrum data to create primary spectrum data for parent ion designation (e). Determine whether a peak exists in the primary spectrum data for parent ion designation (power), if a peak exists,
Extract the peak at the heaviest mass number position from the primary spectrum data for parent ion specification.
If no peaks are present, stop mass spectrometry.
At this stage, the storage device 6 has taken in the mass data of one to a plurality of parent ions and the cleavage ions generated therefrom. From the first stored primary spectrum data, each MS
/ Extract peaks that match the peaks of the MS spectrum data, display each extracted peak as a group for each MS/MS spectrum in one color, and
Displays each S spectrum in a different color (ke), CRT
In step 7, sample molecules are identified from the primary vectors displayed in different colors for each MS/MS spectrum. In the above embodiment, the parent ion is extracted and designated by the CPU, but as shown in FIG. 2, the experimenter may designate it from the peak displayed on the CRT using a cursor or the like.

【effect】

According to the present invention, selection of parent ion peaks becomes easy, and MS of each of several parent ions is obtained from the −order vector.
/Since the peak group for each MS spectrum can be identified,
Sample identification work has become easier and analysis efficiency has further improved.

[Brief explanation of drawings]

FIG. 1 is a block diagram of an embodiment of the present invention, FIG. 2 is a diagram showing the simultaneous display of the primary spectrum and MS/MS spectrum on a CRT, and FIG. 3 is a flowchart of the CPU. 1...Ionization chamber, 2...Pre-stage mass spectrometer, 3.
... Collision chamber, 4... Post-stage mass spectrometer, 5.
...CPU, 6...Storage device, 7...CRT.

Claims (1)

[Claims] In a mass spectrometer consisting of two mass spectrometers arranged one behind the other on an ion trajectory, there is a means for storing spectral data obtained from the two mass spectrometers, and a means for storing spectral data obtained from the preceding mass spectrometer. means for deleting MS/MS spectral peak data obtained from a subsequent mass spectrometry means; and means for selecting a peak with the heaviest mass number from the primary spectral data or the primary spectral data from which the MS/MS spectral peak data has been deleted. , means for controlling the preceding mass spectrometry means to emit ions corresponding to the selected peaks, and means for displaying the primary spectrum peaks in different colors for each of the MS/MS spectrum peaks. Characteristic mass spectrometer.