A gas chromatograph is provided with: a sample gas generator (2) configured to generate a sample gas from an injected sample; a separation column (6) fluidly connected to an outlet of the sample gas generator, the separation column (6) being configured to separate components in the sample gas generated by the sample gas generator (2); a detector (8) fluidly connected to an outlet of the separation column (6), the detector (8) being configured to detect the components separated in the separation column (6); a plurality of gas supply sources (12A, 12B) each configured to supply a carrier gas for carrying the sample gas generated by the sample gas generator to the separation column (6); a switching unit (12A, 12B) fluidly connected to the plurality of gas supply sources, the switching unit being configured to switch such that one of the plurality of gas supply sources is fluidly connected to the sample gas generator (2); a regulator (16) interposed between the switching unit (14) and the sample gas generator (2), the regulator (16) being configured to regulate a gas supply pressure from the gas supply source (12A, 12B) and a gas supply flow rate to the sample gas generator (2); and a control unit (30) configured to control an operation of the regulator (16), wherein the control unit (30) is configured such that in a case where the gas supply source fluidly connected to the sample gas generation unit has been changed in order to shift to a standby state capable of performing subsequent sample analysis and that at least a gas type of the carrier gas supplied to the supply gas generation unit (2) has been changed, the control unit (30) performs a replacement promotion operation for putting the gas supply pressure, the gas supply flow rate, or a combination thereof to a state different from the standby state to promote a gas replacement in the flow path for the carrier gas.

Method and system for the identification of compounds in complex biological or environmental samples by receiving (102) a mass spectrum (1) from a mass spectrometry coupled with a separation technique; for each data point (2) of the mass spectrum (1), annotating (106) in an annotation database (12) combinations of formulas and adducts the theoretical mass-to-charge ratio of which (m/z).sup.T corresponds to the mass-to-charge ratio (m/z) measured of the data point (2); for each formula and adduct annotated, detecting (108) regions of interest in a retention time range (RT.sub.0-RT.sub.1) according to characterisation criteria; generating (110) an inclusion list (14) with the retention time ranges (RT.sub.0-RT.sub.1) and the theoretical mass-to-charge ratios (m/z).sup.T of the formulas and adducts associated with the regions of interest; and sending (112) the inclusion list to a mass spectrometer for the identification of compounds in the sample by tandem mass spectrometry.

Techniques for real-time or substantially real-time peak detection are described. In one embodiment, for example, logic coupled to memory may be configured to receive data from at least one analytical instrument and perform processing or analysis on the received data. Moreover, the logic may be configured to determine, via one or more GPUs or CPUs (or both), one or more peaks based on the processing or the analysis of the received data and generate peak detection data based on the detected one or more peaks in real-time or substantially real-time. Other embodiments are described.

The present invention relates to a method for reducing the complexity of bio-crudes. The method includes (a) obtaining experimental data of quantitative and qualitative analyses for the bio-crudes, (b) grouping compounds contained in the bio-crudes according to a predetermined basis based on the experimental data, (c) selecting representative compounds from among the compounds belonging to the same group, and (d) reconstituting the bio-crudes as a mixture of the representative compounds.

Provided are a method of and an apparatus for formulating a multicomponent drug capable of surely making a multicomponent drug meeting criteria for productization with high accuracy into a product. The method and apparatus obtain a chromatogram from an extract or a base of a multicomponent drug, evaluate whether the base meets the criteria for productization based on the obtained chromatogram with high accuracy, and subject the base determined in the high-accuracy evaluating as an accepted one meeting the criteria to dosage form processing, to produce a formulated drug having a given dosage form. The high quality evaluation is realized by performing peak assignment of a target fingerprint obtained from a chromatogram to a reference fingerprint with high accuracy.

The present invention provides a method comprising a step of estimating the kidney function of an arbitrary subject by a regression analysis which employs the amount of a D, L-amino acid in a biological sample from the arbitrary subject as an explanatory variable and employs the amount of filtrated glomeruli in the arbitrary subject as an object variable, by employing a previously determined formula (I): Y=a.sub.1.Math.X.sub.1+a.sub.2.Math.X.sub.2+ . . . +a.sub.n.Math.X.sub.n+b (I) [wherein a.sub.1 to a.sub.n independently represent a constant obtained by the regression analysis; X.sub.1 to X.sub.n independently represent a variable of the amount of the D,L-amino acid which is selected by the regression analysis; and b represents a constant obtained by the regression analysis] on the basis of the Y value calculated from the amount of the D, L-amino acid in the biological sample from the object to be evaluated. Also provided is a system for carrying out the method.

A method for anomaly detection and diagnosis in a chromatography system including a sample handling unit, a chromatographic separation unit, and a detection unit is disclosed. The method can include performing, with the chromatography system, a chromatography analysis of a sample to obtain a chromatogram of the sample, the sample including a known quantity of a reference standard. The method can also include determining peak information corresponding to the reference standard in the chromatogram and determining whether the peak information conforms with an expected response of the chromatography system associated with the reference standard. If the peak information does not conform with the expected response, the method can include determining that there is an anomaly in the operation of the chromatography system and diagnosing a cause of the anomaly as relating to the operation of at least one the sample handling unit, the chromatographic separation unit, and the detection unit.

Methods, devices, and systems for improving the quality of electrospray ionization mass spectrometer (ESI-MS) data are described, as are methods, devices, and systems for achieving improved correlation between chemical separation data and mass spectrometry data.

Methods, devices, and systems for improving the quality of electrospray ionization mass spectrometer (ESI-MS) data are described, as are methods, devices, and systems for achieving improved correlation between chemical separation data and mass spectrometry data.

A method of quantifying a target analyte by mass spectrometry includes obtaining a mass spectrometer signal comprising a first calibrator signal, comprising a second calibrator signal, and potentially comprising a target analyte signal from a single sample comprising a first known quantity of a first calibrator, comprising a second known quantity of a second calibrator, and potentially comprising a target analyte. The first known quantity and the second known quantity are different, and wherein the first calibrator, the second calibrator, and the target analyte are each distinguishable in the single sample by mass spectrometry. The method also includes quantifying the target analyte in the single sample using the first calibrator signal, the second calibrator signal, and the target analyte signal.