摘要:
A computer implemented method of extracting a mass trace from mass spectrometry data of a mass stream emitted from a separation device as a function of a separation parameter, wherein the mass spectrometry data are generated by analysis in a mass spectrometer, the method comprising, receiving the mass spectrometry data, wherein the mass spectrometry data comprise a plurality of mass spectra each obtained for respective values of the separation parameter; identifying, from the plurality of mass spectra, a sequence of three or more intensity peaks that are ordered according to the separation parameter, wherein said identifying the sequence of three or more intensity peaks comprises, selecting an initial intensity peak at an initial mass, and for each other intensity peak of the sequence of intensity peaks, selecting said intensity peak based on at least the mass of an adjacent intensity peak in the sequence of intensity peaks, the method further comprising, providing a mass trace, for a given emitted compound of the mass stream, from the identified sequence of intensity peaks.
摘要:
The present invention relates to a method for measuring a polymer modification ratio, and more particularly, to a method for measuring a polymer modification ratio, which includes preparing a first solution by dissolving a polymer mixture containing a modified polymer and an unmodified polymer in a first solvent, injecting the first solution into a column filled with an adsorbent, adsorbing the modified polymer onto the adsorbent, and eluting the first solution in which the unmodified copolymer is dissolved, transferring the eluted first solution to a detector, injecting a second solvent into the column to elute the second solution in which the adsorbed modified polymer is dissolved, and transferring the eluted second solution to the detector.
摘要:
Object of the present invention is an improved process for the preparation of Apixaban, through new intermediates which undergo to a faster amidation reaction. Impurities of Apixaban are also identified and quantified.
摘要:
Systems and methods are provided for analyzing a sample using overlapping measured mass selection window widths. A mass range of a sample is divided into two or more target mass selection window widths using a processor. The two or more target widths can have the same width or variable widths. A tandem mass spectrometer is instructed to perform two or more fragmentation scans across the mass range using the processor. Each fragmentation scan of the two or more fragmentation scans includes a measured mass selection window width. The two or more measured widths of the two or more fragmentation scans can have the same width or variable widths. At least two of the two or more measured mass selection window widths overlap. The overlap in measured mass selection window widths corresponds to at least one target mass selection window width.
摘要:
An equation expressing a previously and experimentally determined relationship between the number of ions and a CV value is stored in a reference CV value calculation data memory (44). When a mass spectrometry is performed for a target sample under measurement conditions including a loop time Tp and a dwell time Td, a chromatogram creator (41) creates a chromatogram based on the analysis result and calculates a peak area value A. A CV-value-related information calculator (43) computes the number X of ions by X=Ax(Td/Tp), and based on the equation stored in the memory (44), calculates a CV value corresponding to the calculated number of ions. This is a reference CV value containing only statistical dispersion factors for data. This CV value is displayed in such a manner that it can be compared with an actual CV value calculated based on the variance of actually measured peak area values corresponding to a plurality of measurements, which allows analysis operators to make judgments on the actual measurement data, e.g. whether or not the data are valid.
摘要:
An equation expressing a previously and experimentally determined relationship between the number of ions and a CV value is stored in a reference CV value calculation data memory (44). When a mass spectrometry is performed for a target sample under measurement conditions including a loop time Tp and a dwell time Td, a chromatogram creator (41) creates a chromatogram based on the analysis result and calculates a peak area value A. A CV-value-related information calculator (43) computes the number X of ions by X=Ax(Td/Tp), and based on the equation stored in the memory (44), calculates a CV value corresponding to the calculated number of ions. This is a reference CV value containing only statistical dispersion factors for data. This CV value is displayed in such a manner that it can be compared with an actual CV value calculated based on the variance of actually measured peak area values corresponding to a plurality of measurements, which allows analysis operators to make judgments on the actual measurement data, e.g. whether or not the data are valid.
摘要:
An evaluating apparatus, capable of contributing to improve the accuracy and the efficiency of an evaluation of an evaluation target, includes a FP preparing part 3 that prepares a target FP configured by peaks, retention time points and UV spectra thereof detected from a 3D chromatogram of a multicomponent drug that is an evaluation target at a specific wavelength, a reference FP selecting part 5 that selects a reference FP that is appropriate for assigning peaks of the target FP from among a plurality of reference FPs, a peak pattern preparing part 7 that prepares a peak pattern that is configured by, for example, three peaks including two peaks that are present at least on one of sides located in front and rear in a time axis direction for each peak of the target FP and the selected reference FP, a peak assigning part 9 that specifies corresponding peaks by comparing the peak patterns and the UV spectra of the peaks, and an evaluating part that compares and evaluates the assigned peaks and the peaks of the plurality of reference FPs by, for example, MT method.