Peaks are detected on a mass chromatogram at multiple m/z ratios characterizing a target component, and the detected peaks are classified into groups according to their occurrence time. The measured mass spectrum is acquired for each group, the measured mass spectrum and standard mass spectrum of the target component are matched for each m/z, and the standard mass spectrum is normalized by multiplying it by the same scale factor for all the m/z ratios such that it does not exceed the peak intensities on the measured mass spectrum. The quantitation ion m/z peak intensity on the normalized standard mass spectrum is then examined, and if this intensity exceeds a preset threshold and the confirmation ion ratio determined based on the measured mass spectrum obtained for the target component is outside a reference range, then that target component is taken as a narrowed result candidate.

A chromatographic data processing device, data processing method, and chromatographic analysis system. When chromatographic analysis is performed, the data processing device obtains 3D data for time, wavelength, and strength from the PDA, and finds the assay value for the target component in the liquid sample by processing said data. If the peak top strength of the target component falls outside of the dynamic range, a dilution ratio for the liquid sample is determined by calculating the peak top strength of the target component using the ratio of the strength at the peak top wavelength on the spectrum for each point in time belonging to the peak to the strength of a separate wavelength.

The present invention relates to a method for performing liquid chromatography purification of one or more target molecules from a sample comprising: providing an eluent flow having one or more target molecules, measuring an output parameter indicative of the content of the one or more target molecules in the eluent flow, storing output parameter data, and dividing the eluent flow into consecutive eluent fractions, dividing the output parameter data into corresponding data fractions, in each data fraction obtaining a value indicative of characteristic behavior of the measured output parameter, identifying trends in the measured output parameter based upon the obtained value in consecutive data fractions, and identifying peak(s) in the measured output parameter correlated to eluent fractions based upon the identified trends, whereby information of identified peak(s) and correlated eluent fraction(s) can be presented and purified sample(s) from the eluent may be collected.

A method and apparatus for improving the quality of spectra of a sample obtained from a tandem mass spectrometer system containing an ion trap. The method and apparatus includes the setting of an upper and lower threshold limit on peak intensity and only triggering an enhanced product ion scan when a detected intensity of a peak in an initial scan falls between the upper and lower threshold limits. The spectra obtained from an enhanced product ion scan conducted in this manner are useful in library matching of spectra. The ion trap may be a linear ion trap and the sample may be a peptide.

The present invention relates to a computer program, an apparatus and a method for correcting light absorption values measured for an eluate in connection with performing chromatography on a chemical sample, the sample being eluted with an eluent having an eluent profile with changing solvent composition during the elution of the sample.

An analysis system includes a separation system that provides compounds to a sample cell of a spectrometric system. The system analyzes spectral information from the spectrometric system by optimizing retention windows for the compounds and identifies quantities of the compounds by comparing spectral information within and outside the respective retention windows. Information is displayed in windows of a user interface.

A method, apparatus, and computer-readable storage medium for analyzing sample data from a component separation/mass spectrometer system. A profile plot is formed for each sample, each having retention time and intensity axes, the intensity being represented as a function of retention time for a selected sample ion mass. An intensity peak arrangement, including at least one identifying peak, each having a peak range and characteristic intensity, is identified for a selected ion in the profile plot for each sample. An orthogonal plot, corresponding to the profile plot, for each sample is formed, extending along the retention time axis perpendicularly to the intensity axis. The characteristic intensity of each of the at least one identifying peak is represented on the retention time axis of the orthogonal plot with gradated indicia.

A method and apparatus are provided for characterizing a product sample for example in comparison to a reference sample using a sensor such as a gas chromatograph or a MOS sensor. This characterization may comprise an indication of whether or not the product sample conforms to a quality criterion. The comparison of the sensor output measurements for the product sample is compared to maximum and minimum value curves, which may be derived from measurements of the reference sample, whereby adjacent samples outside the envelope defined by these maximum and minimum values are grouped together. A dissimilarity index may be determined for the anomalous values as a whole, or on a per group basis. The groups may be classified depending on the shape they describe, in particular the presence, or not, of peaks, and correspondingly the shape of the corresponding part of the envelope. These determinations may then be used as the basis of the conformity indication, and also the basis for attempting to identify the cause of any anomalies, in particular the identification of foreign components.

A retention index is calculated based on a detection time (more specifically, retention time) of a compound. A molecular weight range and a number-of-carbon-atoms range are specified based on the retention index. A search range is determined by the molecular weight range. A molecular peak searcher searches for a molecular peak in the search range which is set on a mass spectrum of the compound. A composition estimator estimates a composition of the compound based on an accurate mass specified from the molecular peak. In this process, the number-of-carbon-atoms range is taken into consideration.

A technician is forced to determine the measurement time to be used in a selected ion monitoring (SIM) measurement while observing mass spectral data. Thus, mass spectral data and one or a plurality of mass chromatogram data items is generated on the basis of the detection results of an ion detection unit, and, for each corresponding ion component, the measurement time to be used in SIM is determined on the basis of the elution time range represented by each peak waveform of the one or plurality of mass chromatogram data items that have been generated.