Chromatograph tandem quadrupole mass spectrometer

• US 8,916,818 B2
• Filed: 04/19/2013
• Issued: 12/23/2014
• Est. Priority Date: 04/20/2012
• Status: Active Grant

• Current Assignee: Shimadzu Corporation
• Original Assignee: Shimadzu Corporation
• Inventors: Sekiya, Marie
• Primary Examiner(s): Vanore, David A
• Application Number:
  US13/866,654
• Publication Number:
  US 20140014833A1
• Time in Patent Office: 613 Days
• Field of Search: 250/281, 250/282
• US Class Current: 250/282
• CPC Class Codes: G01N 30/72 Mass spectrometers mass spectrometers per se H01J49/00
• CPC Class Codes: G01N 30/8651 Recording, data aquisition, archiving and storage
• CPC Class Codes: G01N 30/8658 Optimising operation parameters
• CPC Class Codes: G01N 30/8675 Evaluation, i.e. decoding of the signal into analytical information for analysis of specific compounds see also G01N30/88 and subgroups of G01N33/00; chemical libraries per se C40B
• CPC Class Codes: H01J 49/0045 characterised by the fragmentation or other specific reaction

Abstract

A chromatograph tandem quadrupole mass spectrometer is provided for capable of easily and accurately setting the measurement conditions for a product ion scan measurement to determine the parameters of an MRM measurement for many compounds. When an analyst selects a compound or compounds to be MRM-measured, the data processor collects the information on the selected compounds, sets the time range in which a predetermined time width is added before and after the retention time of each compound as the measurement time range, sets the m/z associated with each compound as the m/z of the precursor ion, and obtains the m/z range of the product ion scan from the m/z of the precursor ion. The data processor automatically creates and displays a measurement condition table in which the data are arranged in order. The analyst appropriately modifies the values if necessary to complete the measurement condition table.

Claims

1. A chromatograph tandem quadrupole mass spectrometer for performing a product ion scan measurement, comprising:

a chromatograph unit in which a variety of components contained in a sample are temporally separated; and

a tandem quadrupole mass analysis unit to which the components are introduced from the chromatograph unit for an MS/MS analysis, said tandem quadrupole mass analysis unit comprising;

a compound information memory in which compound information is stored, the compound information including, as information on a compound to be analyzed, a name of the compound, a retention time of the compound, and a mass-to-charge ratio which characterizes the compound; and

a measurement condition table creator for creating a measurement condition table which specifies, as measurement conditions for a product ion scan measurement which is performed to determine an MRM measurement parameters, at least a measurement time range for performing the product ion scan measurement, a mass-to-charge ratio of a precursor ion in the product ion scan measurement, and mass-to-charge ratio range to be scanned in the product ion scan measurement,

wherein the measurement condition table for all or part of compounds which are registered in the compound information table stored in the compound information memory is created by setting a mass-to-charge ratio associated with each compound as the aforementioned mass-to-charge ratio of the precursor ion, a mass-to-charge ratio range which is computed based on the mass-to-charge ratio of the precursor ion as the aforementioned mass-to-charge ratio range to be scanned, and a time range in which a predetermined temporal width is added before and after a retention time associated with each compound as the aforementioned measurement time range.

2. The chromatograph tandem quadrupole mass spectrometer according to claim 1, further comprising:

a display controller for displaying the compound information table in a window of a display; and

a selection unit for allowing an analyst to select a compound for which the product ion scan measurement is to be performed in the compound information table displayed in the window of the display, wherein;

the measurement condition table creator selects only the compound selected by the selection unit in the compound information table and creates the measurement condition table so that a product ion scan measurement is performed in which the mass-to-charge ratio corresponding to the compound is set as the mass-to-charge ratio of the precursor ion.

3. The chromatograph tandem quadrupole mass spectrometer according to claim 2, wherein the selection unit allows the analyst to select a compound by placing a checkmark in a checkbox provided for each compound in the compound information table.

4. The chromatograph tandem quadrupole mass spectrometer according to claim 2, wherein the display controller displays, in a same window in which the compound information table and the measurement condition table are displayed, a chromatogram in which at least a peak corresponding to the compound included in the measurement condition table is present, and superimposes, on the chromatogram, information that enables the analyst to know the measurement time range which corresponds to each compound.

5. The chromatograph tandem quadrupole mass spectrometer according to claim 4, wherein the measurement time range for performing a product ion scan measurement which is superimposed on the chromatogram can be graphically modified by an instruction provided through a pointing device.

6. The chromatograph tandem quadrupole mass spectrometer according to claim 1, wherein the measurement condition table creator creates a measurement condition table for each of different collision energies.

7. The chromatograph tandem quadrupole mass spectrometer according to claim 1, wherein the measurement condition table creator provides, in the measurement condition table, a field in which the name of the compound included in the compound information table is entered.

8. The chromatograph tandem quadrupole mass spectrometer according to claim 1, wherein the measurement condition table creator, when computing the mass-to-charge ratio range based on the mass-to-charge ratio of the precursor ion, sets a predetermined mass-to-charge ratio as a lower limit of the mass-to-charge ratio range and sets a mass-to-charge ratio obtained by adding another predetermined value to or subtracting another predetermined value from the mass-to-charge ratio of the precursor ion as a upper limit of the mass-to-charge ratio range.