Abstract: Methods for acquiring mass spectral data comprise determining first and second sets of m/z sub-ranges comprising respective first and second m/z sub-ranges. A sample is mass filtered to isolate ions in the first and second sets of m/z sub-ranges using respective mass filters. Mass analysis is performed to obtain first and second partial mass spectral data sets, the first and second mass filters having first and second response profiles having respective relatively high transmission regions and one or more relatively low transmission regions. The first and second sets of m/z sub-ranges are determined such that relatively high transmission regions of the first response profile and the second response profile at least partially overlap.

Abstract: Methods for acquiring mass spectral data of a sample across at least a portion of an m/z range include receiving mass spectral data of the sample across the m/z range. The m/z range is partitioned into one or more sets of m/z sub-ranges, each set comprising one or more m/z sub-ranges, by dividing the m/z range into a plurality of m/z bins, determining an indication of ion abundance for each m/z bin, based on the mass spectral data, and forming an m/z sub-range of the one or more sets of m/z sub-ranges by assigning m/z bins having ion abundances that correspond to at least a threshold degree to the formed m/z sub-range. A mass analysis is performed on the sample for each set of m/z sub-ranges, thereby acquiring one or more partial mass spectral data sets.

Abstract: Methods for acquiring mass spectral data of a sample across at least a portion of an m/z range comprise receiving mass spectral data across the m/z range and partitioning the m/z range into one or more sets of m/z sub-ranges, each set comprising one or more m/z sub-ranges, by dividing the m/z range into a plurality of m/z bins, determining an indication of ion abundance for each m/z bin, based on the mass spectral data, and forming an m/z sub-range of the one or more sets of m/z sub-ranges by assigning m/z bins having ion abundances that correspond to at least a threshold degree to the formed m/z sub-range. A mass analysis is performed on the sample for each set of m/z sub-ranges, thereby acquiring one or more partial mass spectral data sets.

Abstract: A method of determining one or more interference parameters for a particular peak of an isotopic distribution corresponding to a precursor molecule in MS scan data is provided. The MS scan data comprises a plurality of peaks. Each peak has a mass-to-charge ratio and a relative abundance. The isotopic distribution comprises a subset of the plurality of peaks. The one or more interference parameters comprises a peak purity, pi, for the particular peak. The method comprises determining that there are no interfering peaks relevant to the isotopic distribution and determining that the peak purity, pi, for the particular peak should be a maximum purity value.

Abstract: A method of determining one or more interference parameters for a particular peak of an isotopic distribution corresponding to a precursor molecule in MS scan data is provided. The MS scan data comprises a plurality of peaks. Each peak has a mass-to-charge ratio and a relative abundance. The isotopic distribution comprises a subset of the plurality of peaks. The one or more interference parameters comprises a peak purity, pi, for the particular peak. The method comprises determining that there are no interfering peaks relevant to the isotopic distribution and determining that the peak purity, pi, for the particular peak should be a maximum purity value.

Abstract: A method for identification of the monoisotopic mass or a parameter correlated to the mass of the isotopes of the isotope distribution of at least one species of molecules contained in a sample and/or originated from a sample by at least an ionization process includes measuring a mass spectrum of the sample with a mass spectrometer, dividing at least one range of measured m/z values of the mass spectrum into fractions, assigning at least some of the fractions to one processor of several provided processors, deducing for each of the at least one species of molecules an isotope distribution of their ions having a specific charge z, deducing from at least one deduced isotope distribution the monoisotopic mass or a parameter correlated to the mass of the isotopes of the isotope distribution of the species of molecules.

Abstract: A method of mass spectrometry is provided. The method comprises eluting a sample from a chromatography system, and calculating a desired maximum scan duration for the sample eluting from the chromatographic system based on a duration of a chromatographic peak of the sample as it elutes from the chromatography system, and a minimum number of scans per chromatographic peak to be performed. A maximum accumulation duration is calculated based on the desired maximum scan duration. The sample is ionised to produce sample ions using an ion source. The sample ions are directed along an ion path from the ion source to a mass analyser. A first set of mass analysis scans are performed. Each of the first set of mass analysis scans comprises: accumulating a portion of sample ions at a point along the ion path, wherein the portion of sample ions are accumulated for a duration not exceeding the maximum accumulation duration, and mass analysing the portion of sample ions using the mass analyser.

Abstract: A method of mass spectrometry is provided. The method comprises eluting a sample from a chromatography system, and calculating a desired maximum scan duration for the sample eluting from the chromatographic system based on a duration of a chromatographic peak of the sample as it elutes from the chromatography system, and a minimum number of scans per chromatographic peak to be performed. A maximum accumulation duration is calculated based on the desired maximum scan duration. The sample is ionised to produce sample ions using an ion source. The sample ions are directed along an ion path from the ion source to a mass analyser. A first set of mass analysis scans are performed. Each of the first set of mass analysis scans comprises: accumulating a portion of sample ions at a point along the ion path, wherein the portion of sample ions are accumulated for a duration not exceeding the maximum accumulation duration, and mass analysing the portion of sample ions using the mass analyser.

Abstract: A method for identification of the monoisotopic mass or a parameter correlated to the mass of the isotopes of the isotope distribution of at least one species of molecules contained in a sample and/or originated from a sample by at least an ionization process includes measuring a mass spectrum of the sample with a mass spectrometer, dividing at least one range of measured m/z values of the mass spectrum into fractions, assigning at least some of the fractions to one processor of several provided processors, deducing for each of the at least one species of molecules an isotope distribution of their ions having a specific charge z, deducing from at least one deduced isotope distribution the monoisotopic mass or a parameter correlated to the mass of the isotopes of the isotope distribution of the species of molecules.

Abstract: A method for identification of the monoisotopic mass or a parameter correlated to the mass of the isotopes of the isotope distribution of at least one species of molecules contained in a sample and/or originated from a sample by at least an ionization process includes measuring a mass spectrum of the sample with a mass spectrometer, dividing at least one range of measured m/z values of the mass spectrum into fractions, assigning at least some of the fractions to one processor of several provided processors, deducing for each of the at least one species of molecules an isotope distribution of their ions having a specific charge z, deducing from at least one deduced isotope distribution the monoisotopic mass or a parameter correlated to the mass of the isotopes of the isotope distribution of the species of molecules.

Abstract: The invention concerns a method for identification of the monoisotopic mass or a parameter correlated the mass of the isotopes of the isotope distribution of at least one species of molecules contained in a sample and/or originated from a sample by at least an ionization process, comprising measuring a mass spectrum of the sample with a mass spectrometer, dividing at least one range of measured m/z values of the mass spectrum into fractions, assigning at least some of the fractions to one processor of several provided processors, deducing for each of the at least one species of molecules an isotope distribution of their ions having a specific charge z, deducing from at least one deduced isotope distribution the monoisotopic mass or a parameter correlated the mass of the isotopes of the isotope distribution of the species of molecules.