A method of performing tandem mass spectrometry includes supplying a sample to a chromatography column, directing components included in the sample and eluting from the chromatography column to a mass spectrometer, acquiring a series of mass spectra including intensity values of ions produced from the components as a function of m/z of the ions, extracting, from the series of mass spectra, a plurality of detection points representing intensity as a function of time for a selected m/z, estimating, based on the plurality of detection points extracted from the series of mass spectra, a relative position of a selected detection point included in the plurality of detection points, and performing, at the mass spectrometer and based on the estimated relative position, a dependent acquisition for the selected m/z. The relative position of the selected detection point represents a position of the selected detection point relative to an expected reference point.

The present invention relates to a method for analyzing the molecular weight of each polymer comprised in a polymer compound, and an analysis system used therefor. More specifically, the present invention relates to an analysis method of components of polymer compounds and molecular weight by component using a system in which size-exclusion chromatography (SEC)-pyrolysis gas chromatography (Py-GC)-mass spectrometry (MS) are connected in series and to an analysis system used in the method.

An analyzer configured to acquire a chromatogram or spectrum by performing a predetermined analysis of a sample and perform a qualitative or quantitative analysis of components contained in the sample. The analyzer includes: a peak detection unit configured, based on information regarding a plurality of target components that need to be checked whether contained in the sample or that need to be quantified, to detect a peak or peaks in the chromatogram or spectrum acquired by the predetermined analysis of the sample corresponding to one of the target components, configured to acquire peak information regarding each of the peak or peaks, and configured to obtain confidence information for each of the peak or peaks, the confidence information being an indicative value of certainty of detecting a peak; and a display processing unit configured to display on a display unit a list of at least a part of the target components.

A chromatograph mass spectrometer according to an aspect of the present invention is a chromatograph mass spectrometer including: a chromatograph unit (LC unit 1) configured to separate components in a sample; and a mass spectrometer (MS unit 2) configured to execute mass spectrometry on ions having a specific mass-to-charge ratio derived from a compound for each compound temporally separated by the chromatograph unit, the chromatograph mass spectrometer further including: an analysis condition setting unit (30) configured to allow a user to input a width of a peak on a chromatogram as one of analysis parameters; a data point number storage (311) configured to store information on an appropriate number of data points corresponding to one peak; a sampling time interval calculator (312) configured to calculate a sampling time interval, which is a timing for acquiring data for creating the chromatogram, from the inputted peak width and data point number; and an analysis control unit (32) configured to control an operation of the mass spectrometer so as to acquire ion intensity data in the mass spectrometer according to the sampling time interval.

A method for operating a spectral data processing system. The method includes receiving a user input associated with processing of a spectral data of a chemical sample at least partly using a machine learning processing model. The machine learning processing model is arranged in a machine learning controller of the spectral data processing system. The method also includes training the machine learning processing model based on the received user input.

Each of one or more unknown compounds are separated from a sample over a separation time period. Separated compounds are ionized, producing one or more compound precursor ions for each of the unknown compounds and a plurality of background precursor ions. A precursor ion mass spectrum is measured for the combined compound and background precursor ions at each time step of a plurality of time steps spread across the separation time period, producing a plurality of precursor ion mass spectra. One or more background precursor ions are selected from the plurality of precursor ion mass spectra that have a resolving power in a range below a threshold expected resolving power. A separation time is detected for an unknown compound when a decrease in an intensity measurement of the selected background precursor ions over a time period exceeds a threshold decrease in intensity with respect to time.

A separation device is instructed to separate a compound from a sample over a time period. A mass spectrometer is instructed to measure a plurality of intensities of at least one ion of the separated compound over the time period, producing a chromatogram. At least one peak of the at least one ion is identified from the chromatogram using a peak-finding algorithm. Two or more different peak integration areas are calculated for the at least one peak by applying the peak-finding algorithm with two or more different values for at least one peak-finding parameter. Two or more plots of the at least one peak that each shows graphically a different peak integration area are displayed on a display device at the same time. In response, data is received from a user selection device that indicates user selection of one of the two or more plots.

A method for rapid differential diagnosis of infection using supercritical fluid chromatographic separation of quorum sensing molecules as biomarkers for infection agents.

Disclosed is a chromatography system arranged to perform automated chromatography column efficiency testing for a specific column to determine efficiency parameters such as h and As and optionally to further provide guidance to the user with respect to column efficiency, the system having a controller arranged to automatically access data to enable the calculation of a column compression plate height, said data being derived from at least stored parameters of the specific column and the resin to be used in that column, thereby to calculate the efficiency of the column.

The present disclosure relates to a marker for identifying Korean ginseng cultivars and a method of identifying Korean ginseng cultivars using the same. Specifically, the present disclosure provides a marker for identification of Korean ginseng cultivars, which is obtained by identifying and separating an active ingredient, which is contained only in Korean ginseng cultivars, among non-saponin components. In addition, the present disclosure makes it possible to determine whether a product sold as Korean ginseng is Korean ginseng by separating and purifying the active ingredient without using a conventional molecular biological method.